----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:50:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.540494910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.697595030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.417185590000001 Atomic positions (fractional): *1 Y 0.87171596275033 0.75000000000000 0.22699825790450 88.906 *2 Y 0.87014427401517 0.75000000000000 0.56086535334102 88.906 3 Y 0.62985572598483 0.25000000000000 0.06086535334102 88.906 4 Y 0.62828403724967 0.25000000000000 0.72699825790450 88.906 5 Y 0.37171596275033 0.75000000000000 0.27300174209550 88.906 6 Y 0.37014427401517 0.75000000000000 0.93913464665898 88.906 7 Y 0.12985572598483 0.25000000000000 0.43913464665898 88.906 8 Y 0.12828403724967 0.25000000000000 0.77300174209550 88.906 *9 Hf 0.83771255433290 0.75000000000000 0.89087234366197 178.490 10 Hf 0.66228744566710 0.25000000000000 0.39087234366197 178.490 11 Hf 0.33771255433290 0.75000000000000 0.60912765633803 178.490 12 Hf 0.16228744566710 0.25000000000000 0.10912765633803 178.490 *13 O 0.00008631606530 0.25000000000000 0.60536655293335 15.999 *14 O 0.01628281466587 0.75000000000000 0.85048284448813 15.999 *15 O 0.76496607967267 0.75000000000000 0.05481980831451 15.999 *16 O 0.76201140417662 0.25000000000000 0.89232651425081 15.999 *17 O 0.74333217333832 0.25000000000000 0.23327853350677 15.999 18 O 0.75666782666168 0.75000000000000 0.73327853350677 15.999 19 O 0.73798859582338 0.75000000000000 0.39232651425081 15.999 20 O 0.73503392032733 0.25000000000000 0.55481980831451 15.999 21 O 0.48371718533413 0.25000000000000 0.35048284448813 15.999 22 O 0.49991368393470 0.75000000000000 0.10536655293335 15.999 23 O 0.50008631606530 0.25000000000000 0.89463344706665 15.999 24 O 0.51628281466587 0.75000000000000 0.64951715551187 15.999 25 O 0.26496607967267 0.75000000000000 0.44518019168549 15.999 26 O 0.26201140417662 0.25000000000000 0.60767348574919 15.999 27 O 0.24333217333831 0.25000000000000 0.26672146649323 15.999 28 O 0.25666782666168 0.75000000000000 0.76672146649323 15.999 29 O 0.23798859582338 0.75000000000000 0.10767348574919 15.999 30 O 0.23503392032733 0.25000000000000 0.94518019168549 15.999 31 O 0.98371718533413 0.25000000000000 0.14951715551187 15.999 32 O 0.99991368393470 0.75000000000000 0.39463344706665 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.540494910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.697595030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.417185590000001 Atomic positions (fractional): *1 Y 0.87171596275033 0.75000000000000 0.22699825790450 88.906 > 1 *2 Y 0.87014427401517 0.75000000000000 0.56086535334102 88.906 > 2 3 Y 0.62985572598483 0.25000000000000 0.06086535334102 88.906 > 3 4 Y 0.62828403724967 0.25000000000000 0.72699825790450 88.906 > 4 5 Y 0.37171596275033 0.75000000000000 0.27300174209550 88.906 > 5 6 Y 0.37014427401517 0.75000000000000 0.93913464665898 88.906 > 6 7 Y 0.12985572598483 0.25000000000000 0.43913464665898 88.906 > 7 8 Y 0.12828403724967 0.25000000000000 0.77300174209550 88.906 > 8 *9 Hf 0.83771255433290 0.75000000000000 0.89087234366197 178.490 > 9 10 Hf 0.66228744566710 0.25000000000000 0.39087234366197 178.490 > 10 11 Hf 0.33771255433290 0.75000000000000 0.60912765633803 178.490 > 11 12 Hf 0.16228744566710 0.25000000000000 0.10912765633803 178.490 > 12 *13 O 0.00008631606530 0.25000000000000 0.60536655293335 15.999 > 13 *14 O 0.01628281466587 0.75000000000000 0.85048284448813 15.999 > 14 *15 O 0.76496607967267 0.75000000000000 0.05481980831451 15.999 > 15 *16 O 0.76201140417662 0.25000000000000 0.89232651425081 15.999 > 16 *17 O 0.74333217333832 0.25000000000000 0.23327853350677 15.999 > 17 18 O 0.75666782666168 0.75000000000000 0.73327853350677 15.999 > 18 19 O 0.73798859582338 0.75000000000000 0.39232651425081 15.999 > 19 20 O 0.73503392032733 0.25000000000000 0.55481980831451 15.999 > 20 21 O 0.48371718533413 0.25000000000000 0.35048284448813 15.999 > 21 22 O 0.49991368393470 0.75000000000000 0.10536655293335 15.999 > 22 23 O 0.50008631606530 0.25000000000000 0.89463344706665 15.999 > 23 24 O 0.51628281466587 0.75000000000000 0.64951715551187 15.999 > 24 25 O 0.26496607967267 0.75000000000000 0.44518019168549 15.999 > 25 26 O 0.26201140417662 0.25000000000000 0.60767348574919 15.999 > 26 27 O 0.24333217333831 0.25000000000000 0.26672146649323 15.999 > 27 28 O 0.25666782666168 0.75000000000000 0.76672146649323 15.999 > 28 29 O 0.23798859582338 0.75000000000000 0.10767348574919 15.999 > 29 30 O 0.23503392032733 0.25000000000000 0.94518019168549 15.999 > 30 31 O 0.98371718533413 0.25000000000000 0.14951715551187 15.999 > 31 32 O 0.99991368393470 0.75000000000000 0.39463344706665 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.540494910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.092785090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.417185590000001 Atomic positions (fractional): *1 Y 0.87171596275033 0.25000000000000 0.22699825790450 88.906 > 1 2 Y 0.87171596275033 0.58333333333333 0.22699825790450 88.906 > 1 3 Y 0.87171596275033 0.91666666666667 0.22699825790450 88.906 > 1 *4 Y 0.87014427401517 0.25000000000000 0.56086535334102 88.906 > 2 5 Y 0.87014427401517 0.58333333333333 0.56086535334102 88.906 > 2 6 Y 0.87014427401517 0.91666666666667 0.56086535334102 88.906 > 2 7 Y 0.62985572598483 0.08333333333333 0.06086535334102 88.906 > 3 8 Y 0.62985572598483 0.41666666666667 0.06086535334102 88.906 > 3 9 Y 0.62985572598483 0.75000000000000 0.06086535334102 88.906 > 3 10 Y 0.62828403724967 0.08333333333333 0.72699825790450 88.906 > 4 11 Y 0.62828403724967 0.41666666666667 0.72699825790450 88.906 > 4 12 Y 0.62828403724967 0.75000000000000 0.72699825790450 88.906 > 4 13 Y 0.37171596275033 0.25000000000000 0.27300174209550 88.906 > 5 14 Y 0.37171596275033 0.58333333333333 0.27300174209550 88.906 > 5 15 Y 0.37171596275033 0.91666666666667 0.27300174209550 88.906 > 5 16 Y 0.37014427401517 0.25000000000000 0.93913464665898 88.906 > 6 17 Y 0.37014427401517 0.58333333333333 0.93913464665898 88.906 > 6 18 Y 0.37014427401517 0.91666666666667 0.93913464665898 88.906 > 6 19 Y 0.12985572598483 0.08333333333333 0.43913464665898 88.906 > 7 20 Y 0.12985572598483 0.41666666666667 0.43913464665898 88.906 > 7 21 Y 0.12985572598483 0.75000000000000 0.43913464665898 88.906 > 7 22 Y 0.12828403724967 0.08333333333333 0.77300174209550 88.906 > 8 23 Y 0.12828403724967 0.41666666666667 0.77300174209550 88.906 > 8 24 Y 0.12828403724967 0.75000000000000 0.77300174209550 88.906 > 8 *25 Hf 0.83771255433290 0.25000000000000 0.89087234366197 178.490 > 9 26 Hf 0.83771255433290 0.58333333333333 0.89087234366197 178.490 > 9 27 Hf 0.83771255433290 0.91666666666667 0.89087234366197 178.490 > 9 28 Hf 0.66228744566710 0.08333333333333 0.39087234366197 178.490 > 10 29 Hf 0.66228744566710 0.41666666666667 0.39087234366197 178.490 > 10 30 Hf 0.66228744566710 0.75000000000000 0.39087234366197 178.490 > 10 31 Hf 0.33771255433290 0.25000000000000 0.60912765633803 178.490 > 11 32 Hf 0.33771255433290 0.58333333333333 0.60912765633803 178.490 > 11 33 Hf 0.33771255433290 0.91666666666667 0.60912765633803 178.490 > 11 34 Hf 0.16228744566710 0.08333333333333 0.10912765633803 178.490 > 12 35 Hf 0.16228744566710 0.41666666666667 0.10912765633803 178.490 > 12 36 Hf 0.16228744566710 0.75000000000000 0.10912765633803 178.490 > 12 *37 O 0.00008631606530 0.08333333333333 0.60536655293335 15.999 > 13 38 O 0.00008631606530 0.41666666666667 0.60536655293335 15.999 > 13 39 O 0.00008631606530 0.75000000000000 0.60536655293335 15.999 > 13 *40 O 0.01628281466587 0.25000000000000 0.85048284448813 15.999 > 14 41 O 0.01628281466587 0.58333333333333 0.85048284448813 15.999 > 14 42 O 0.01628281466587 0.91666666666667 0.85048284448813 15.999 > 14 *43 O 0.76496607967267 0.25000000000000 0.05481980831451 15.999 > 15 44 O 0.76496607967267 0.58333333333333 0.05481980831451 15.999 > 15 45 O 0.76496607967267 0.91666666666667 0.05481980831451 15.999 > 15 *46 O 0.76201140417662 0.08333333333333 0.89232651425081 15.999 > 16 47 O 0.76201140417662 0.41666666666667 0.89232651425081 15.999 > 16 48 O 0.76201140417662 0.75000000000000 0.89232651425081 15.999 > 16 *49 O 0.74333217333832 0.08333333333333 0.23327853350677 15.999 > 17 50 O 0.74333217333832 0.41666666666667 0.23327853350677 15.999 > 17 51 O 0.74333217333832 0.75000000000000 0.23327853350677 15.999 > 17 52 O 0.75666782666168 0.25000000000000 0.73327853350677 15.999 > 18 53 O 0.75666782666168 0.58333333333333 0.73327853350677 15.999 > 18 54 O 0.75666782666168 0.91666666666667 0.73327853350677 15.999 > 18 55 O 0.73798859582338 0.25000000000000 0.39232651425081 15.999 > 19 56 O 0.73798859582338 0.58333333333333 0.39232651425081 15.999 > 19 57 O 0.73798859582338 0.91666666666667 0.39232651425081 15.999 > 19 58 O 0.73503392032733 0.08333333333333 0.55481980831451 15.999 > 20 59 O 0.73503392032733 0.41666666666667 0.55481980831451 15.999 > 20 60 O 0.73503392032733 0.75000000000000 0.55481980831451 15.999 > 20 61 O 0.48371718533413 0.08333333333333 0.35048284448813 15.999 > 21 62 O 0.48371718533413 0.41666666666667 0.35048284448813 15.999 > 21 63 O 0.48371718533413 0.75000000000000 0.35048284448813 15.999 > 21 64 O 0.49991368393470 0.25000000000000 0.10536655293335 15.999 > 22 65 O 0.49991368393470 0.58333333333333 0.10536655293335 15.999 > 22 66 O 0.49991368393470 0.91666666666667 0.10536655293335 15.999 > 22 67 O 0.50008631606530 0.08333333333333 0.89463344706665 15.999 > 23 68 O 0.50008631606530 0.41666666666667 0.89463344706665 15.999 > 23 69 O 0.50008631606530 0.75000000000000 0.89463344706665 15.999 > 23 70 O 0.51628281466587 0.25000000000000 0.64951715551187 15.999 > 24 71 O 0.51628281466587 0.58333333333333 0.64951715551187 15.999 > 24 72 O 0.51628281466587 0.91666666666667 0.64951715551187 15.999 > 24 73 O 0.26496607967267 0.25000000000000 0.44518019168549 15.999 > 25 74 O 0.26496607967267 0.58333333333333 0.44518019168549 15.999 > 25 75 O 0.26496607967267 0.91666666666667 0.44518019168549 15.999 > 25 76 O 0.26201140417662 0.08333333333333 0.60767348574919 15.999 > 26 77 O 0.26201140417662 0.41666666666667 0.60767348574919 15.999 > 26 78 O 0.26201140417662 0.75000000000000 0.60767348574919 15.999 > 26 79 O 0.24333217333831 0.08333333333333 0.26672146649323 15.999 > 27 80 O 0.24333217333831 0.41666666666667 0.26672146649323 15.999 > 27 81 O 0.24333217333831 0.75000000000000 0.26672146649323 15.999 > 27 82 O 0.25666782666168 0.25000000000000 0.76672146649323 15.999 > 28 83 O 0.25666782666168 0.58333333333333 0.76672146649323 15.999 > 28 84 O 0.25666782666168 0.91666666666667 0.76672146649323 15.999 > 28 85 O 0.23798859582338 0.25000000000000 0.10767348574919 15.999 > 29 86 O 0.23798859582338 0.58333333333333 0.10767348574919 15.999 > 29 87 O 0.23798859582338 0.91666666666667 0.10767348574919 15.999 > 29 88 O 0.23503392032733 0.08333333333333 0.94518019168549 15.999 > 30 89 O 0.23503392032733 0.41666666666667 0.94518019168549 15.999 > 30 90 O 0.23503392032733 0.75000000000000 0.94518019168549 15.999 > 30 91 O 0.98371718533413 0.08333333333333 0.14951715551187 15.999 > 31 92 O 0.98371718533413 0.41666666666667 0.14951715551187 15.999 > 31 93 O 0.98371718533413 0.75000000000000 0.14951715551187 15.999 > 31 94 O 0.99991368393470 0.25000000000000 0.39463344706665 15.999 > 32 95 O 0.99991368393470 0.58333333333333 0.39463344706665 15.999 > 32 96 O 0.99991368393470 0.91666666666667 0.39463344706665 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1139815 0.0000000 0.0000000 0.0000000 4.2203352 0.0000000 0.0000000 0.0000000 4.2027579 -------------------------- Born effective charges -------------------------- 1 Y 3.8561876 0.0000000 0.0535883 0.0000000 3.8554222 0.0000000 0.3433359 0.0000000 3.9224800 2 Y 3.8246275 0.0000000 -0.2789802 0.0000000 3.9080438 0.0000000 -0.1515824 0.0000000 3.5654879 3 Y 3.8246275 0.0000000 0.2789802 0.0000000 3.9080438 0.0000000 0.1515824 0.0000000 3.5654879 4 Y 3.8561876 0.0000000 -0.0535883 0.0000000 3.8554222 0.0000000 -0.3433359 0.0000000 3.9224800 5 Y 3.8561876 0.0000000 -0.0535883 0.0000000 3.8554222 0.0000000 -0.3433359 0.0000000 3.9224800 6 Y 3.8246275 0.0000000 0.2789802 0.0000000 3.9080438 0.0000000 0.1515824 0.0000000 3.5654879 7 Y 3.8246275 0.0000000 -0.2789802 0.0000000 3.9080438 0.0000000 -0.1515824 0.0000000 3.5654879 8 Y 3.8561876 0.0000000 0.0535883 0.0000000 3.8554222 0.0000000 0.3433359 0.0000000 3.9224800 9 Hf 3.6379284 0.0000000 -0.2609070 0.0000000 4.5784489 0.0000000 -0.3963413 0.0000000 4.5287215 10 Hf 3.6379284 0.0000000 0.2609070 0.0000000 4.5784489 0.0000000 0.3963413 0.0000000 4.5287215 11 Hf 3.6379284 0.0000000 0.2609070 0.0000000 4.5784489 0.0000000 0.3963413 0.0000000 4.5287215 12 Hf 3.6379284 0.0000000 -0.2609070 0.0000000 4.5784489 0.0000000 -0.3963413 0.0000000 4.5287215 13 O -2.4660954 0.0000000 -0.1338192 0.0000000 -2.3753969 0.0000000 -0.2840517 0.0000000 -2.4950205 14 O -3.1415711 0.0000000 0.6485410 0.0000000 -2.0219311 0.0000000 0.6083106 0.0000000 -1.5195840 15 O -2.0654986 0.0000000 0.0907869 0.0000000 -2.2640550 0.0000000 0.2405912 0.0000000 -3.1927455 16 O -1.6086112 0.0000000 -0.0365696 0.0000000 -3.3998260 0.0000000 0.0673810 0.0000000 -1.9238028 17 O -2.0369671 0.0000000 0.1713651 0.0000000 -2.2807060 0.0000000 0.3062792 0.0000000 -2.8855366 18 O -2.0369671 0.0000000 -0.1713651 0.0000000 -2.2807060 0.0000000 -0.3062792 0.0000000 -2.8855366 19 O -1.6086112 0.0000000 0.0365696 0.0000000 -3.3998260 0.0000000 -0.0673810 0.0000000 -1.9238028 20 O -2.0654986 0.0000000 -0.0907869 0.0000000 -2.2640550 0.0000000 -0.2405912 0.0000000 -3.1927455 21 O -3.1415711 0.0000000 -0.6485410 0.0000000 -2.0219311 0.0000000 -0.6083106 0.0000000 -1.5195840 22 O -2.4660954 0.0000000 0.1338192 0.0000000 -2.3753969 0.0000000 0.2840517 0.0000000 -2.4950205 23 O -2.4660954 0.0000000 0.1338192 0.0000000 -2.3753969 0.0000000 0.2840517 0.0000000 -2.4950205 24 O -3.1415711 0.0000000 -0.6485410 0.0000000 -2.0219311 0.0000000 -0.6083106 0.0000000 -1.5195840 25 O -2.0654986 0.0000000 -0.0907869 0.0000000 -2.2640550 0.0000000 -0.2405912 0.0000000 -3.1927455 26 O -1.6086112 0.0000000 0.0365696 0.0000000 -3.3998260 0.0000000 -0.0673810 0.0000000 -1.9238028 27 O -2.0369671 0.0000000 -0.1713651 0.0000000 -2.2807060 0.0000000 -0.3062792 0.0000000 -2.8855366 28 O -2.0369671 0.0000000 0.1713651 0.0000000 -2.2807060 0.0000000 0.3062792 0.0000000 -2.8855366 29 O -1.6086112 0.0000000 -0.0365696 0.0000000 -3.3998260 0.0000000 0.0673810 0.0000000 -1.9238028 30 O -2.0654986 0.0000000 0.0907869 0.0000000 -2.2640550 0.0000000 0.2405912 0.0000000 -3.1927455 31 O -3.1415711 0.0000000 0.6485410 0.0000000 -2.0219311 0.0000000 0.6083106 0.0000000 -1.5195840 32 O -2.4660954 0.0000000 -0.1338192 0.0000000 -2.3753969 0.0000000 -0.2840517 0.0000000 -2.4950205 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.556 Solver_block: 200 / 480 - Time: 2.582 Solver_block: 300 / 480 - Time: 2.579 Solver_block: 400 / 480 - Time: 2.586 Solver_block: 480 / 480 - Time: 2.107 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.459 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:51:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:51:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.540494910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.697595030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.417185590000001 Atomic positions (fractional): 1 Y 0.87171596275033 0.75000000000000 0.22699825790450 88.906 2 Y 0.87014427401517 0.75000000000000 0.56086535334102 88.906 3 Y 0.62985572598483 0.25000000000000 0.06086535334102 88.906 4 Y 0.62828403724967 0.25000000000000 0.72699825790450 88.906 5 Y 0.37171596275033 0.75000000000000 0.27300174209550 88.906 6 Y 0.37014427401517 0.75000000000000 0.93913464665898 88.906 7 Y 0.12985572598483 0.25000000000000 0.43913464665898 88.906 8 Y 0.12828403724967 0.25000000000000 0.77300174209550 88.906 9 Hf 0.83771255433290 0.75000000000000 0.89087234366197 178.490 10 Hf 0.66228744566710 0.25000000000000 0.39087234366197 178.490 11 Hf 0.33771255433290 0.75000000000000 0.60912765633803 178.490 12 Hf 0.16228744566710 0.25000000000000 0.10912765633803 178.490 13 O 0.00008631606530 0.25000000000000 0.60536655293335 15.999 14 O 0.01628281466587 0.75000000000000 0.85048284448813 15.999 15 O 0.76496607967267 0.75000000000000 0.05481980831451 15.999 16 O 0.76201140417662 0.25000000000000 0.89232651425081 15.999 17 O 0.74333217333832 0.25000000000000 0.23327853350677 15.999 18 O 0.75666782666168 0.75000000000000 0.73327853350677 15.999 19 O 0.73798859582338 0.75000000000000 0.39232651425081 15.999 20 O 0.73503392032733 0.25000000000000 0.55481980831451 15.999 21 O 0.48371718533413 0.25000000000000 0.35048284448813 15.999 22 O 0.49991368393470 0.75000000000000 0.10536655293335 15.999 23 O 0.50008631606530 0.25000000000000 0.89463344706665 15.999 24 O 0.51628281466587 0.75000000000000 0.64951715551187 15.999 25 O 0.26496607967267 0.75000000000000 0.44518019168549 15.999 26 O 0.26201140417662 0.25000000000000 0.60767348574919 15.999 27 O 0.24333217333831 0.25000000000000 0.26672146649323 15.999 28 O 0.25666782666168 0.75000000000000 0.76672146649323 15.999 29 O 0.23798859582338 0.75000000000000 0.10767348574919 15.999 30 O 0.23503392032733 0.25000000000000 0.94518019168549 15.999 31 O 0.98371718533413 0.25000000000000 0.14951715551187 15.999 32 O 0.99991368393470 0.75000000000000 0.39463344706665 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.540494910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.092785090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.417185590000001 Atomic positions (fractional): 1 Y 0.87171596275033 0.25000000000000 0.22699825790450 88.906 > 1 2 Y 0.87171596275033 0.58333333333333 0.22699825790450 88.906 > 1 3 Y 0.87171596275033 0.91666666666667 0.22699825790450 88.906 > 1 4 Y 0.87014427401517 0.25000000000000 0.56086535334102 88.906 > 4 5 Y 0.87014427401517 0.58333333333333 0.56086535334102 88.906 > 4 6 Y 0.87014427401517 0.91666666666667 0.56086535334102 88.906 > 4 7 Y 0.62985572598483 0.08333333333333 0.06086535334102 88.906 > 7 8 Y 0.62985572598483 0.41666666666667 0.06086535334102 88.906 > 7 9 Y 0.62985572598483 0.75000000000000 0.06086535334102 88.906 > 7 10 Y 0.62828403724967 0.08333333333333 0.72699825790450 88.906 > 10 11 Y 0.62828403724967 0.41666666666667 0.72699825790450 88.906 > 10 12 Y 0.62828403724967 0.75000000000000 0.72699825790450 88.906 > 10 13 Y 0.37171596275033 0.25000000000000 0.27300174209550 88.906 > 13 14 Y 0.37171596275033 0.58333333333333 0.27300174209550 88.906 > 13 15 Y 0.37171596275033 0.91666666666667 0.27300174209550 88.906 > 13 16 Y 0.37014427401517 0.25000000000000 0.93913464665898 88.906 > 16 17 Y 0.37014427401517 0.58333333333333 0.93913464665898 88.906 > 16 18 Y 0.37014427401517 0.91666666666667 0.93913464665898 88.906 > 16 19 Y 0.12985572598483 0.08333333333333 0.43913464665898 88.906 > 19 20 Y 0.12985572598483 0.41666666666667 0.43913464665898 88.906 > 19 21 Y 0.12985572598483 0.75000000000000 0.43913464665898 88.906 > 19 22 Y 0.12828403724967 0.08333333333333 0.77300174209550 88.906 > 22 23 Y 0.12828403724967 0.41666666666667 0.77300174209550 88.906 > 22 24 Y 0.12828403724967 0.75000000000000 0.77300174209550 88.906 > 22 25 Hf 0.83771255433290 0.25000000000000 0.89087234366197 178.490 > 25 26 Hf 0.83771255433290 0.58333333333333 0.89087234366197 178.490 > 25 27 Hf 0.83771255433290 0.91666666666667 0.89087234366197 178.490 > 25 28 Hf 0.66228744566710 0.08333333333333 0.39087234366197 178.490 > 28 29 Hf 0.66228744566710 0.41666666666667 0.39087234366197 178.490 > 28 30 Hf 0.66228744566710 0.75000000000000 0.39087234366197 178.490 > 28 31 Hf 0.33771255433290 0.25000000000000 0.60912765633803 178.490 > 31 32 Hf 0.33771255433290 0.58333333333333 0.60912765633803 178.490 > 31 33 Hf 0.33771255433290 0.91666666666667 0.60912765633803 178.490 > 31 34 Hf 0.16228744566710 0.08333333333333 0.10912765633803 178.490 > 34 35 Hf 0.16228744566710 0.41666666666667 0.10912765633803 178.490 > 34 36 Hf 0.16228744566710 0.75000000000000 0.10912765633803 178.490 > 34 37 O 0.00008631606530 0.08333333333333 0.60536655293335 15.999 > 37 38 O 0.00008631606530 0.41666666666667 0.60536655293335 15.999 > 37 39 O 0.00008631606530 0.75000000000000 0.60536655293335 15.999 > 37 40 O 0.01628281466587 0.25000000000000 0.85048284448813 15.999 > 40 41 O 0.01628281466587 0.58333333333333 0.85048284448813 15.999 > 40 42 O 0.01628281466587 0.91666666666667 0.85048284448813 15.999 > 40 43 O 0.76496607967267 0.25000000000000 0.05481980831451 15.999 > 43 44 O 0.76496607967267 0.58333333333333 0.05481980831451 15.999 > 43 45 O 0.76496607967267 0.91666666666667 0.05481980831451 15.999 > 43 46 O 0.76201140417662 0.08333333333333 0.89232651425081 15.999 > 46 47 O 0.76201140417662 0.41666666666667 0.89232651425081 15.999 > 46 48 O 0.76201140417662 0.75000000000000 0.89232651425081 15.999 > 46 49 O 0.74333217333832 0.08333333333333 0.23327853350677 15.999 > 49 50 O 0.74333217333832 0.41666666666667 0.23327853350677 15.999 > 49 51 O 0.74333217333832 0.75000000000000 0.23327853350677 15.999 > 49 52 O 0.75666782666168 0.25000000000000 0.73327853350677 15.999 > 52 53 O 0.75666782666168 0.58333333333333 0.73327853350677 15.999 > 52 54 O 0.75666782666168 0.91666666666667 0.73327853350677 15.999 > 52 55 O 0.73798859582338 0.25000000000000 0.39232651425081 15.999 > 55 56 O 0.73798859582338 0.58333333333333 0.39232651425081 15.999 > 55 57 O 0.73798859582338 0.91666666666667 0.39232651425081 15.999 > 55 58 O 0.73503392032733 0.08333333333333 0.55481980831451 15.999 > 58 59 O 0.73503392032733 0.41666666666667 0.55481980831451 15.999 > 58 60 O 0.73503392032733 0.75000000000000 0.55481980831451 15.999 > 58 61 O 0.48371718533413 0.08333333333333 0.35048284448813 15.999 > 61 62 O 0.48371718533413 0.41666666666667 0.35048284448813 15.999 > 61 63 O 0.48371718533413 0.75000000000000 0.35048284448813 15.999 > 61 64 O 0.49991368393470 0.25000000000000 0.10536655293335 15.999 > 64 65 O 0.49991368393470 0.58333333333333 0.10536655293335 15.999 > 64 66 O 0.49991368393470 0.91666666666667 0.10536655293335 15.999 > 64 67 O 0.50008631606530 0.08333333333333 0.89463344706665 15.999 > 67 68 O 0.50008631606530 0.41666666666667 0.89463344706665 15.999 > 67 69 O 0.50008631606530 0.75000000000000 0.89463344706665 15.999 > 67 70 O 0.51628281466587 0.25000000000000 0.64951715551187 15.999 > 70 71 O 0.51628281466587 0.58333333333333 0.64951715551187 15.999 > 70 72 O 0.51628281466587 0.91666666666667 0.64951715551187 15.999 > 70 73 O 0.26496607967267 0.25000000000000 0.44518019168549 15.999 > 73 74 O 0.26496607967267 0.58333333333333 0.44518019168549 15.999 > 73 75 O 0.26496607967267 0.91666666666667 0.44518019168549 15.999 > 73 76 O 0.26201140417662 0.08333333333333 0.60767348574919 15.999 > 76 77 O 0.26201140417662 0.41666666666667 0.60767348574919 15.999 > 76 78 O 0.26201140417662 0.75000000000000 0.60767348574919 15.999 > 76 79 O 0.24333217333831 0.08333333333333 0.26672146649323 15.999 > 79 80 O 0.24333217333831 0.41666666666667 0.26672146649323 15.999 > 79 81 O 0.24333217333831 0.75000000000000 0.26672146649323 15.999 > 79 82 O 0.25666782666168 0.25000000000000 0.76672146649323 15.999 > 82 83 O 0.25666782666168 0.58333333333333 0.76672146649323 15.999 > 82 84 O 0.25666782666168 0.91666666666667 0.76672146649323 15.999 > 82 85 O 0.23798859582338 0.25000000000000 0.10767348574919 15.999 > 85 86 O 0.23798859582338 0.58333333333333 0.10767348574919 15.999 > 85 87 O 0.23798859582338 0.91666666666667 0.10767348574919 15.999 > 85 88 O 0.23503392032733 0.08333333333333 0.94518019168549 15.999 > 88 89 O 0.23503392032733 0.41666666666667 0.94518019168549 15.999 > 88 90 O 0.23503392032733 0.75000000000000 0.94518019168549 15.999 > 88 91 O 0.98371718533413 0.08333333333333 0.14951715551187 15.999 > 91 92 O 0.98371718533413 0.41666666666667 0.14951715551187 15.999 > 91 93 O 0.98371718533413 0.75000000000000 0.14951715551187 15.999 > 91 94 O 0.99991368393470 0.25000000000000 0.39463344706665 15.999 > 94 95 O 0.99991368393470 0.58333333333333 0.39463344706665 15.999 > 94 96 O 0.99991368393470 0.91666666666667 0.39463344706665 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1139815 0.0000000 0.0000000 0.0000000 4.2203352 0.0000000 0.0000000 0.0000000 4.2027579 -------------------------- Born effective charges -------------------------- 1 Y 3.8561876 0.0000000 0.0535883 0.0000000 3.8554222 0.0000000 0.3433359 0.0000000 3.9224800 2 Y 3.8246275 0.0000000 -0.2789802 0.0000000 3.9080438 0.0000000 -0.1515824 0.0000000 3.5654879 3 Y 3.8246275 0.0000000 0.2789802 0.0000000 3.9080438 0.0000000 0.1515824 0.0000000 3.5654879 4 Y 3.8561876 0.0000000 -0.0535883 0.0000000 3.8554222 0.0000000 -0.3433359 0.0000000 3.9224800 5 Y 3.8561876 0.0000000 -0.0535883 0.0000000 3.8554222 0.0000000 -0.3433359 0.0000000 3.9224800 6 Y 3.8246275 0.0000000 0.2789802 0.0000000 3.9080438 0.0000000 0.1515824 0.0000000 3.5654879 7 Y 3.8246275 0.0000000 -0.2789802 0.0000000 3.9080438 0.0000000 -0.1515824 0.0000000 3.5654879 8 Y 3.8561876 0.0000000 0.0535883 0.0000000 3.8554222 0.0000000 0.3433359 0.0000000 3.9224800 9 Hf 3.6379284 0.0000000 -0.2609070 0.0000000 4.5784489 0.0000000 -0.3963413 0.0000000 4.5287215 10 Hf 3.6379284 0.0000000 0.2609070 0.0000000 4.5784489 0.0000000 0.3963413 0.0000000 4.5287215 11 Hf 3.6379284 0.0000000 0.2609070 0.0000000 4.5784489 0.0000000 0.3963413 0.0000000 4.5287215 12 Hf 3.6379284 0.0000000 -0.2609070 0.0000000 4.5784489 0.0000000 -0.3963413 0.0000000 4.5287215 13 O -2.4660954 0.0000000 -0.1338192 0.0000000 -2.3753969 0.0000000 -0.2840517 0.0000000 -2.4950205 14 O -3.1415711 0.0000000 0.6485410 0.0000000 -2.0219311 0.0000000 0.6083106 0.0000000 -1.5195840 15 O -2.0654986 0.0000000 0.0907869 0.0000000 -2.2640550 0.0000000 0.2405912 0.0000000 -3.1927455 16 O -1.6086112 0.0000000 -0.0365696 0.0000000 -3.3998260 0.0000000 0.0673810 0.0000000 -1.9238028 17 O -2.0369671 0.0000000 0.1713651 0.0000000 -2.2807060 0.0000000 0.3062792 0.0000000 -2.8855366 18 O -2.0369671 0.0000000 -0.1713651 0.0000000 -2.2807060 0.0000000 -0.3062792 0.0000000 -2.8855366 19 O -1.6086112 0.0000000 0.0365696 0.0000000 -3.3998260 0.0000000 -0.0673810 0.0000000 -1.9238028 20 O -2.0654986 0.0000000 -0.0907869 0.0000000 -2.2640550 0.0000000 -0.2405912 0.0000000 -3.1927455 21 O -3.1415711 0.0000000 -0.6485410 0.0000000 -2.0219311 0.0000000 -0.6083106 0.0000000 -1.5195840 22 O -2.4660954 0.0000000 0.1338192 0.0000000 -2.3753969 0.0000000 0.2840517 0.0000000 -2.4950205 23 O -2.4660954 0.0000000 0.1338192 0.0000000 -2.3753969 0.0000000 0.2840517 0.0000000 -2.4950205 24 O -3.1415711 0.0000000 -0.6485410 0.0000000 -2.0219311 0.0000000 -0.6083106 0.0000000 -1.5195840 25 O -2.0654986 0.0000000 -0.0907869 0.0000000 -2.2640550 0.0000000 -0.2405912 0.0000000 -3.1927455 26 O -1.6086112 0.0000000 0.0365696 0.0000000 -3.3998260 0.0000000 -0.0673810 0.0000000 -1.9238028 27 O -2.0369671 0.0000000 -0.1713651 0.0000000 -2.2807060 0.0000000 -0.3062792 0.0000000 -2.8855366 28 O -2.0369671 0.0000000 0.1713651 0.0000000 -2.2807060 0.0000000 0.3062792 0.0000000 -2.8855366 29 O -1.6086112 0.0000000 -0.0365696 0.0000000 -3.3998260 0.0000000 0.0673810 0.0000000 -1.9238028 30 O -2.0654986 0.0000000 0.0907869 0.0000000 -2.2640550 0.0000000 0.2405912 0.0000000 -3.1927455 31 O -3.1415711 0.0000000 0.6485410 0.0000000 -2.0219311 0.0000000 0.6083106 0.0000000 -1.5195840 32 O -2.4660954 0.0000000 -0.1338192 0.0000000 -2.3753969 0.0000000 -0.2840517 0.0000000 -2.4950205 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:51:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:51:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.540494910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.697595030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.417185590000001 Atomic positions (fractional): 1 Y 0.87171596275033 0.75000000000000 0.22699825790450 88.906 2 Y 0.87014427401517 0.75000000000000 0.56086535334102 88.906 3 Y 0.62985572598483 0.25000000000000 0.06086535334102 88.906 4 Y 0.62828403724967 0.25000000000000 0.72699825790450 88.906 5 Y 0.37171596275033 0.75000000000000 0.27300174209550 88.906 6 Y 0.37014427401517 0.75000000000000 0.93913464665898 88.906 7 Y 0.12985572598483 0.25000000000000 0.43913464665898 88.906 8 Y 0.12828403724967 0.25000000000000 0.77300174209550 88.906 9 Hf 0.83771255433290 0.75000000000000 0.89087234366197 178.490 10 Hf 0.66228744566710 0.25000000000000 0.39087234366197 178.490 11 Hf 0.33771255433290 0.75000000000000 0.60912765633803 178.490 12 Hf 0.16228744566710 0.25000000000000 0.10912765633803 178.490 13 O 0.00008631606530 0.25000000000000 0.60536655293335 15.999 14 O 0.01628281466587 0.75000000000000 0.85048284448813 15.999 15 O 0.76496607967267 0.75000000000000 0.05481980831451 15.999 16 O 0.76201140417662 0.25000000000000 0.89232651425081 15.999 17 O 0.74333217333832 0.25000000000000 0.23327853350677 15.999 18 O 0.75666782666168 0.75000000000000 0.73327853350677 15.999 19 O 0.73798859582338 0.75000000000000 0.39232651425081 15.999 20 O 0.73503392032733 0.25000000000000 0.55481980831451 15.999 21 O 0.48371718533413 0.25000000000000 0.35048284448813 15.999 22 O 0.49991368393470 0.75000000000000 0.10536655293335 15.999 23 O 0.50008631606530 0.25000000000000 0.89463344706665 15.999 24 O 0.51628281466587 0.75000000000000 0.64951715551187 15.999 25 O 0.26496607967267 0.75000000000000 0.44518019168549 15.999 26 O 0.26201140417662 0.25000000000000 0.60767348574919 15.999 27 O 0.24333217333831 0.25000000000000 0.26672146649323 15.999 28 O 0.25666782666168 0.75000000000000 0.76672146649323 15.999 29 O 0.23798859582338 0.75000000000000 0.10767348574919 15.999 30 O 0.23503392032733 0.25000000000000 0.94518019168549 15.999 31 O 0.98371718533413 0.25000000000000 0.14951715551187 15.999 32 O 0.99991368393470 0.75000000000000 0.39463344706665 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.540494910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.092785090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.417185590000001 Atomic positions (fractional): 1 Y 0.87171596275033 0.25000000000000 0.22699825790450 88.906 > 1 2 Y 0.87171596275033 0.58333333333333 0.22699825790450 88.906 > 1 3 Y 0.87171596275033 0.91666666666667 0.22699825790450 88.906 > 1 4 Y 0.87014427401517 0.25000000000000 0.56086535334102 88.906 > 4 5 Y 0.87014427401517 0.58333333333333 0.56086535334102 88.906 > 4 6 Y 0.87014427401517 0.91666666666667 0.56086535334102 88.906 > 4 7 Y 0.62985572598483 0.08333333333333 0.06086535334102 88.906 > 7 8 Y 0.62985572598483 0.41666666666667 0.06086535334102 88.906 > 7 9 Y 0.62985572598483 0.75000000000000 0.06086535334102 88.906 > 7 10 Y 0.62828403724967 0.08333333333333 0.72699825790450 88.906 > 10 11 Y 0.62828403724967 0.41666666666667 0.72699825790450 88.906 > 10 12 Y 0.62828403724967 0.75000000000000 0.72699825790450 88.906 > 10 13 Y 0.37171596275033 0.25000000000000 0.27300174209550 88.906 > 13 14 Y 0.37171596275033 0.58333333333333 0.27300174209550 88.906 > 13 15 Y 0.37171596275033 0.91666666666667 0.27300174209550 88.906 > 13 16 Y 0.37014427401517 0.25000000000000 0.93913464665898 88.906 > 16 17 Y 0.37014427401517 0.58333333333333 0.93913464665898 88.906 > 16 18 Y 0.37014427401517 0.91666666666667 0.93913464665898 88.906 > 16 19 Y 0.12985572598483 0.08333333333333 0.43913464665898 88.906 > 19 20 Y 0.12985572598483 0.41666666666667 0.43913464665898 88.906 > 19 21 Y 0.12985572598483 0.75000000000000 0.43913464665898 88.906 > 19 22 Y 0.12828403724967 0.08333333333333 0.77300174209550 88.906 > 22 23 Y 0.12828403724967 0.41666666666667 0.77300174209550 88.906 > 22 24 Y 0.12828403724967 0.75000000000000 0.77300174209550 88.906 > 22 25 Hf 0.83771255433290 0.25000000000000 0.89087234366197 178.490 > 25 26 Hf 0.83771255433290 0.58333333333333 0.89087234366197 178.490 > 25 27 Hf 0.83771255433290 0.91666666666667 0.89087234366197 178.490 > 25 28 Hf 0.66228744566710 0.08333333333333 0.39087234366197 178.490 > 28 29 Hf 0.66228744566710 0.41666666666667 0.39087234366197 178.490 > 28 30 Hf 0.66228744566710 0.75000000000000 0.39087234366197 178.490 > 28 31 Hf 0.33771255433290 0.25000000000000 0.60912765633803 178.490 > 31 32 Hf 0.33771255433290 0.58333333333333 0.60912765633803 178.490 > 31 33 Hf 0.33771255433290 0.91666666666667 0.60912765633803 178.490 > 31 34 Hf 0.16228744566710 0.08333333333333 0.10912765633803 178.490 > 34 35 Hf 0.16228744566710 0.41666666666667 0.10912765633803 178.490 > 34 36 Hf 0.16228744566710 0.75000000000000 0.10912765633803 178.490 > 34 37 O 0.00008631606530 0.08333333333333 0.60536655293335 15.999 > 37 38 O 0.00008631606530 0.41666666666667 0.60536655293335 15.999 > 37 39 O 0.00008631606530 0.75000000000000 0.60536655293335 15.999 > 37 40 O 0.01628281466587 0.25000000000000 0.85048284448813 15.999 > 40 41 O 0.01628281466587 0.58333333333333 0.85048284448813 15.999 > 40 42 O 0.01628281466587 0.91666666666667 0.85048284448813 15.999 > 40 43 O 0.76496607967267 0.25000000000000 0.05481980831451 15.999 > 43 44 O 0.76496607967267 0.58333333333333 0.05481980831451 15.999 > 43 45 O 0.76496607967267 0.91666666666667 0.05481980831451 15.999 > 43 46 O 0.76201140417662 0.08333333333333 0.89232651425081 15.999 > 46 47 O 0.76201140417662 0.41666666666667 0.89232651425081 15.999 > 46 48 O 0.76201140417662 0.75000000000000 0.89232651425081 15.999 > 46 49 O 0.74333217333832 0.08333333333333 0.23327853350677 15.999 > 49 50 O 0.74333217333832 0.41666666666667 0.23327853350677 15.999 > 49 51 O 0.74333217333832 0.75000000000000 0.23327853350677 15.999 > 49 52 O 0.75666782666168 0.25000000000000 0.73327853350677 15.999 > 52 53 O 0.75666782666168 0.58333333333333 0.73327853350677 15.999 > 52 54 O 0.75666782666168 0.91666666666667 0.73327853350677 15.999 > 52 55 O 0.73798859582338 0.25000000000000 0.39232651425081 15.999 > 55 56 O 0.73798859582338 0.58333333333333 0.39232651425081 15.999 > 55 57 O 0.73798859582338 0.91666666666667 0.39232651425081 15.999 > 55 58 O 0.73503392032733 0.08333333333333 0.55481980831451 15.999 > 58 59 O 0.73503392032733 0.41666666666667 0.55481980831451 15.999 > 58 60 O 0.73503392032733 0.75000000000000 0.55481980831451 15.999 > 58 61 O 0.48371718533413 0.08333333333333 0.35048284448813 15.999 > 61 62 O 0.48371718533413 0.41666666666667 0.35048284448813 15.999 > 61 63 O 0.48371718533413 0.75000000000000 0.35048284448813 15.999 > 61 64 O 0.49991368393470 0.25000000000000 0.10536655293335 15.999 > 64 65 O 0.49991368393470 0.58333333333333 0.10536655293335 15.999 > 64 66 O 0.49991368393470 0.91666666666667 0.10536655293335 15.999 > 64 67 O 0.50008631606530 0.08333333333333 0.89463344706665 15.999 > 67 68 O 0.50008631606530 0.41666666666667 0.89463344706665 15.999 > 67 69 O 0.50008631606530 0.75000000000000 0.89463344706665 15.999 > 67 70 O 0.51628281466587 0.25000000000000 0.64951715551187 15.999 > 70 71 O 0.51628281466587 0.58333333333333 0.64951715551187 15.999 > 70 72 O 0.51628281466587 0.91666666666667 0.64951715551187 15.999 > 70 73 O 0.26496607967267 0.25000000000000 0.44518019168549 15.999 > 73 74 O 0.26496607967267 0.58333333333333 0.44518019168549 15.999 > 73 75 O 0.26496607967267 0.91666666666667 0.44518019168549 15.999 > 73 76 O 0.26201140417662 0.08333333333333 0.60767348574919 15.999 > 76 77 O 0.26201140417662 0.41666666666667 0.60767348574919 15.999 > 76 78 O 0.26201140417662 0.75000000000000 0.60767348574919 15.999 > 76 79 O 0.24333217333831 0.08333333333333 0.26672146649323 15.999 > 79 80 O 0.24333217333831 0.41666666666667 0.26672146649323 15.999 > 79 81 O 0.24333217333831 0.75000000000000 0.26672146649323 15.999 > 79 82 O 0.25666782666168 0.25000000000000 0.76672146649323 15.999 > 82 83 O 0.25666782666168 0.58333333333333 0.76672146649323 15.999 > 82 84 O 0.25666782666168 0.91666666666667 0.76672146649323 15.999 > 82 85 O 0.23798859582338 0.25000000000000 0.10767348574919 15.999 > 85 86 O 0.23798859582338 0.58333333333333 0.10767348574919 15.999 > 85 87 O 0.23798859582338 0.91666666666667 0.10767348574919 15.999 > 85 88 O 0.23503392032733 0.08333333333333 0.94518019168549 15.999 > 88 89 O 0.23503392032733 0.41666666666667 0.94518019168549 15.999 > 88 90 O 0.23503392032733 0.75000000000000 0.94518019168549 15.999 > 88 91 O 0.98371718533413 0.08333333333333 0.14951715551187 15.999 > 91 92 O 0.98371718533413 0.41666666666667 0.14951715551187 15.999 > 91 93 O 0.98371718533413 0.75000000000000 0.14951715551187 15.999 > 91 94 O 0.99991368393470 0.25000000000000 0.39463344706665 15.999 > 94 95 O 0.99991368393470 0.58333333333333 0.39463344706665 15.999 > 94 96 O 0.99991368393470 0.91666666666667 0.39463344706665 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1139815 0.0000000 0.0000000 0.0000000 4.2203352 0.0000000 0.0000000 0.0000000 4.2027579 -------------------------- Born effective charges -------------------------- 1 Y 3.8561876 0.0000000 0.0535883 0.0000000 3.8554222 0.0000000 0.3433359 0.0000000 3.9224800 2 Y 3.8246275 0.0000000 -0.2789802 0.0000000 3.9080438 0.0000000 -0.1515824 0.0000000 3.5654879 3 Y 3.8246275 0.0000000 0.2789802 0.0000000 3.9080438 0.0000000 0.1515824 0.0000000 3.5654879 4 Y 3.8561876 0.0000000 -0.0535883 0.0000000 3.8554222 0.0000000 -0.3433359 0.0000000 3.9224800 5 Y 3.8561876 0.0000000 -0.0535883 0.0000000 3.8554222 0.0000000 -0.3433359 0.0000000 3.9224800 6 Y 3.8246275 0.0000000 0.2789802 0.0000000 3.9080438 0.0000000 0.1515824 0.0000000 3.5654879 7 Y 3.8246275 0.0000000 -0.2789802 0.0000000 3.9080438 0.0000000 -0.1515824 0.0000000 3.5654879 8 Y 3.8561876 0.0000000 0.0535883 0.0000000 3.8554222 0.0000000 0.3433359 0.0000000 3.9224800 9 Hf 3.6379284 0.0000000 -0.2609070 0.0000000 4.5784489 0.0000000 -0.3963413 0.0000000 4.5287215 10 Hf 3.6379284 0.0000000 0.2609070 0.0000000 4.5784489 0.0000000 0.3963413 0.0000000 4.5287215 11 Hf 3.6379284 0.0000000 0.2609070 0.0000000 4.5784489 0.0000000 0.3963413 0.0000000 4.5287215 12 Hf 3.6379284 0.0000000 -0.2609070 0.0000000 4.5784489 0.0000000 -0.3963413 0.0000000 4.5287215 13 O -2.4660954 0.0000000 -0.1338192 0.0000000 -2.3753969 0.0000000 -0.2840517 0.0000000 -2.4950205 14 O -3.1415711 0.0000000 0.6485410 0.0000000 -2.0219311 0.0000000 0.6083106 0.0000000 -1.5195840 15 O -2.0654986 0.0000000 0.0907869 0.0000000 -2.2640550 0.0000000 0.2405912 0.0000000 -3.1927455 16 O -1.6086112 0.0000000 -0.0365696 0.0000000 -3.3998260 0.0000000 0.0673810 0.0000000 -1.9238028 17 O -2.0369671 0.0000000 0.1713651 0.0000000 -2.2807060 0.0000000 0.3062792 0.0000000 -2.8855366 18 O -2.0369671 0.0000000 -0.1713651 0.0000000 -2.2807060 0.0000000 -0.3062792 0.0000000 -2.8855366 19 O -1.6086112 0.0000000 0.0365696 0.0000000 -3.3998260 0.0000000 -0.0673810 0.0000000 -1.9238028 20 O -2.0654986 0.0000000 -0.0907869 0.0000000 -2.2640550 0.0000000 -0.2405912 0.0000000 -3.1927455 21 O -3.1415711 0.0000000 -0.6485410 0.0000000 -2.0219311 0.0000000 -0.6083106 0.0000000 -1.5195840 22 O -2.4660954 0.0000000 0.1338192 0.0000000 -2.3753969 0.0000000 0.2840517 0.0000000 -2.4950205 23 O -2.4660954 0.0000000 0.1338192 0.0000000 -2.3753969 0.0000000 0.2840517 0.0000000 -2.4950205 24 O -3.1415711 0.0000000 -0.6485410 0.0000000 -2.0219311 0.0000000 -0.6083106 0.0000000 -1.5195840 25 O -2.0654986 0.0000000 -0.0907869 0.0000000 -2.2640550 0.0000000 -0.2405912 0.0000000 -3.1927455 26 O -1.6086112 0.0000000 0.0365696 0.0000000 -3.3998260 0.0000000 -0.0673810 0.0000000 -1.9238028 27 O -2.0369671 0.0000000 -0.1713651 0.0000000 -2.2807060 0.0000000 -0.3062792 0.0000000 -2.8855366 28 O -2.0369671 0.0000000 0.1713651 0.0000000 -2.2807060 0.0000000 0.3062792 0.0000000 -2.8855366 29 O -1.6086112 0.0000000 -0.0365696 0.0000000 -3.3998260 0.0000000 0.0673810 0.0000000 -1.9238028 30 O -2.0654986 0.0000000 0.0907869 0.0000000 -2.2640550 0.0000000 0.2405912 0.0000000 -3.1927455 31 O -3.1415711 0.0000000 0.6485410 0.0000000 -2.0219311 0.0000000 0.6083106 0.0000000 -1.5195840 32 O -2.4660954 0.0000000 -0.1338192 0.0000000 -2.3753969 0.0000000 -0.2840517 0.0000000 -2.4950205 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.795 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 6.904 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.562 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.736 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.614 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.768 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.735 ( 0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 10.499 ( 0.000 0.000 0.000) 0.000 10.702 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 11.252 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 11.606 ( 0.000 0.000 0.000) 0.000 11.637 ( 0.000 0.000 0.000) 0.000 12.078 ( 0.000 0.000 0.000) 0.000 12.164 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 13.236 ( 0.000 0.000 0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 13.686 ( 0.000 0.000 0.000) 0.000 14.016 ( 0.000 0.000 0.000) 0.000 14.105 ( 0.000 0.000 0.000) 0.000 14.341 ( 0.000 0.000 0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 15.020 ( 0.000 0.000 0.000) 0.000 15.496 ( 0.000 0.000 0.000) 0.000 15.734 ( 0.000 0.000 0.000) 0.000 17.018 ( 0.000 0.000 0.000) 0.000 17.020 ( 0.000 0.000 0.000) 0.000 18.084 ( 0.000 0.000 0.000) 0.000 18.669 ( 0.000 0.000 0.000) 0.000 18.799 ( 0.000 0.000 0.000) 0.000 20.156 ( 0.000 0.000 0.000) 0.000 20.274 ( 0.000 0.000 0.000) 0.000 20.277 ( 0.000 0.000 0.000) 0.000 20.320 ( 0.000 0.000 0.000) 0.000 20.320 ( 0.000 0.000 0.000) 0.000 20.854 ( 0.000 0.000 0.000) 0.000 20.885 ( 0.000 0.000 0.000) 0.000 22.179 ( 0.000 0.000 0.000) 0.000 22.219 ( 0.000 0.000 0.000) 0.000 22.367 ( 0.000 0.000 0.000) 0.000 22.452 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 25.185 0.000 0.000) 25.185 0.567 ( 29.501 0.000 0.000) 29.501 1.020 ( 49.212 0.000 0.000) 49.212 1.869 ( 3.224 0.000 0.000) 3.224 1.958 ( -14.369 0.000 0.000) 14.369 2.282 ( 4.417 0.000 0.000) 4.417 2.346 ( -4.482 0.000 0.000) 4.482 2.346 ( 2.874 0.000 0.000) 2.874 2.553 ( -1.369 0.000 0.000) 1.369 3.008 ( 9.579 0.000 0.000) 9.579 3.166 ( -23.763 0.000 0.000) 23.763 3.353 ( -5.160 0.000 0.000) 5.160 3.389 ( -13.662 0.000 0.000) 13.662 3.470 ( -6.587 0.000 0.000) 6.587 3.614 ( 9.301 0.000 0.000) 9.301 3.819 ( 4.511 0.000 0.000) 4.511 3.849 ( 5.432 0.000 0.000) 5.432 3.925 ( 10.592 0.000 0.000) 10.592 4.034 ( -4.835 0.000 0.000) 4.835 4.070 ( 11.606 0.000 0.000) 11.606 4.269 ( -2.616 0.000 0.000) 2.616 4.318 ( -0.427 0.000 0.000) 0.427 4.504 ( -0.429 0.000 0.000) 0.429 4.533 ( -14.879 0.000 0.000) 14.879 4.544 ( -4.029 0.000 0.000) 4.029 4.784 ( -10.416 0.000 0.000) 10.416 5.090 ( 11.794 0.000 0.000) 11.794 5.288 ( 14.695 0.000 0.000) 14.695 5.635 ( -9.054 0.000 0.000) 9.054 5.921 ( -3.633 0.000 0.000) 3.633 5.976 ( -1.094 0.000 0.000) 1.094 6.116 ( -11.191 0.000 0.000) 11.191 6.338 ( 3.688 0.000 0.000) 3.688 6.397 ( -0.490 0.000 0.000) 0.490 6.779 ( 8.751 0.000 0.000) 8.751 6.966 ( 11.738 0.000 0.000) 11.738 6.982 ( -0.419 0.000 0.000) 0.419 7.025 ( 1.731 0.000 0.000) 1.731 7.161 ( -1.527 0.000 0.000) 1.527 7.400 ( 1.290 0.000 0.000) 1.290 7.519 ( 1.858 0.000 0.000) 1.858 7.535 ( 1.122 0.000 0.000) 1.122 7.571 ( 0.874 0.000 0.000) 0.874 7.610 ( 1.525 0.000 0.000) 1.525 7.710 ( 2.881 0.000 0.000) 2.881 7.713 ( -2.261 0.000 0.000) 2.261 8.535 ( 0.801 0.000 0.000) 0.801 8.579 ( 0.769 0.000 0.000) 0.769 8.716 ( -0.388 0.000 0.000) 0.388 8.727 ( -3.920 0.000 0.000) 3.920 8.847 ( 9.644 0.000 0.000) 9.644 9.549 ( -16.845 0.000 0.000) 16.845 10.123 ( 2.308 0.000 0.000) 2.308 10.232 ( 3.649 0.000 0.000) 3.649 10.286 ( -2.333 0.000 0.000) 2.333 10.476 ( -2.417 0.000 0.000) 2.417 10.651 ( -12.294 0.000 0.000) 12.294 10.779 ( -2.524 0.000 0.000) 2.524 10.928 ( 5.786 0.000 0.000) 5.786 11.040 ( 4.490 0.000 0.000) 4.490 11.182 ( -9.739 0.000 0.000) 9.739 11.274 ( 4.496 0.000 0.000) 4.496 11.402 ( 0.975 0.000 0.000) 0.975 11.471 ( -0.672 0.000 0.000) 0.672 11.594 ( 7.179 0.000 0.000) 7.179 11.740 ( 6.100 0.000 0.000) 6.100 12.033 ( -3.114 0.000 0.000) 3.114 12.168 ( 0.403 0.000 0.000) 0.403 12.205 ( -0.484 0.000 0.000) 0.484 12.557 ( -10.343 0.000 0.000) 10.343 13.238 ( 0.163 0.000 0.000) 0.163 13.251 ( -0.164 0.000 0.000) 0.164 14.041 ( 2.430 0.000 0.000) 2.430 14.121 ( 1.214 0.000 0.000) 1.214 14.366 ( 2.053 0.000 0.000) 2.053 14.444 ( -0.771 0.000 0.000) 0.771 14.642 ( 7.123 0.000 0.000) 7.123 15.006 ( -1.713 0.000 0.000) 1.713 15.537 ( 4.418 0.000 0.000) 4.418 16.020 ( -6.777 0.000 0.000) 6.777 17.020 ( 0.231 0.000 0.000) 0.231 17.025 ( 0.436 0.000 0.000) 0.436 18.681 ( 1.155 0.000 0.000) 1.155 18.778 ( -1.918 0.000 0.000) 1.918 19.962 ( 6.593 0.000 0.000) 6.593 20.213 ( 3.086 0.000 0.000) 3.086 20.274 ( 0.026 0.000 0.000) 0.026 20.276 ( -0.031 0.000 0.000) 0.031 20.320 ( 0.009 0.000 0.000) 0.009 20.320 ( -0.001 0.000 0.000) 0.001 20.704 ( -14.075 0.000 0.000) 14.075 20.778 ( -10.255 0.000 0.000) 10.255 22.208 ( 2.929 0.000 0.000) 2.929 22.243 ( 2.135 0.000 0.000) 2.135 22.567 ( 10.133 0.000 0.000) 10.133 23.038 ( -3.412 0.000 0.000) 3.412 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 25.418 0.000 0.000) 25.418 1.111 ( 27.458 0.000 0.000) 27.458 1.377 ( -14.929 0.000 0.000) 14.929 1.595 ( -23.049 0.000 0.000) 23.049 2.231 ( 39.121 0.000 0.000) 39.121 2.382 ( 7.762 0.000 0.000) 7.762 2.419 ( 4.549 0.000 0.000) 4.549 2.503 ( -3.821 0.000 0.000) 3.821 2.511 ( 8.548 0.000 0.000) 8.548 2.827 ( -20.797 0.000 0.000) 20.797 2.832 ( -1.803 0.000 0.000) 1.803 3.279 ( -24.033 0.000 0.000) 24.033 3.300 ( 0.097 0.000 0.000) 0.097 3.353 ( -5.029 0.000 0.000) 5.029 3.701 ( -3.592 0.000 0.000) 3.592 3.764 ( 2.136 0.000 0.000) 2.136 3.910 ( 3.875 0.000 0.000) 3.875 3.929 ( 2.122 0.000 0.000) 2.122 4.101 ( 1.388 0.000 0.000) 1.388 4.109 ( 7.371 0.000 0.000) 7.371 4.205 ( -3.882 0.000 0.000) 3.882 4.272 ( -13.323 0.000 0.000) 13.323 4.333 ( 3.094 0.000 0.000) 3.094 4.438 ( -6.635 0.000 0.000) 6.635 4.669 ( 10.403 0.000 0.000) 10.403 4.755 ( 0.782 0.000 0.000) 0.782 5.345 ( 13.161 0.000 0.000) 13.161 5.500 ( -4.563 0.000 0.000) 4.563 5.562 ( 12.721 0.000 0.000) 12.721 5.772 ( -10.345 0.000 0.000) 10.345 5.887 ( -5.852 0.000 0.000) 5.852 5.913 ( -8.592 0.000 0.000) 8.592 6.392 ( 1.541 0.000 0.000) 1.541 6.399 ( 0.408 0.000 0.000) 0.408 6.902 ( 5.090 0.000 0.000) 5.090 6.966 ( -1.688 0.000 0.000) 1.688 7.068 ( 2.730 0.000 0.000) 2.730 7.121 ( -2.617 0.000 0.000) 2.617 7.192 ( 9.691 0.000 0.000) 9.691 7.347 ( -6.489 0.000 0.000) 6.489 7.557 ( 0.924 0.000 0.000) 0.924 7.557 ( 1.315 0.000 0.000) 1.315 7.596 ( 2.274 0.000 0.000) 2.274 7.657 ( -3.482 0.000 0.000) 3.482 7.701 ( 6.722 0.000 0.000) 6.722 7.768 ( 0.866 0.000 0.000) 0.866 8.567 ( 2.766 0.000 0.000) 2.766 8.640 ( -4.684 0.000 0.000) 4.684 8.662 ( 6.551 0.000 0.000) 6.551 8.724 ( 0.484 0.000 0.000) 0.484 8.998 ( 6.598 0.000 0.000) 6.598 9.206 ( -16.600 0.000 0.000) 16.600 10.212 ( 7.401 0.000 0.000) 7.401 10.307 ( 5.484 0.000 0.000) 5.484 10.319 ( 5.053 0.000 0.000) 5.053 10.410 ( -4.335 0.000 0.000) 4.335 10.417 ( -10.689 0.000 0.000) 10.689 10.557 ( -15.809 0.000 0.000) 15.809 11.028 ( 1.525 0.000 0.000) 1.525 11.052 ( -1.192 0.000 0.000) 1.192 11.187 ( 9.162 0.000 0.000) 9.162 11.331 ( -2.806 0.000 0.000) 2.806 11.426 ( 1.427 0.000 0.000) 1.427 11.452 ( -1.241 0.000 0.000) 1.241 11.733 ( 6.827 0.000 0.000) 6.827 11.803 ( 0.027 0.000 0.000) 0.027 12.059 ( 7.831 0.000 0.000) 7.831 12.179 ( 0.701 0.000 0.000) 0.701 12.193 ( -0.750 0.000 0.000) 0.750 12.302 ( -15.202 0.000 0.000) 15.202 13.242 ( 0.265 0.000 0.000) 0.265 13.247 ( -0.265 0.000 0.000) 0.265 14.094 ( 2.734 0.000 0.000) 2.734 14.129 ( -0.706 0.000 0.000) 0.706 14.402 ( 1.567 0.000 0.000) 1.567 14.426 ( -1.091 0.000 0.000) 1.091 14.804 ( 8.810 0.000 0.000) 8.810 14.942 ( -5.329 0.000 0.000) 5.329 15.665 ( 8.797 0.000 0.000) 8.797 15.852 ( -10.173 0.000 0.000) 10.173 17.026 ( 0.358 0.000 0.000) 0.358 17.030 ( -0.014 0.000 0.000) 0.014 18.708 ( 1.598 0.000 0.000) 1.598 18.740 ( -1.824 0.000 0.000) 1.824 20.134 ( 11.481 0.000 0.000) 11.481 20.275 ( 0.044 0.000 0.000) 0.044 20.276 ( -0.048 0.000 0.000) 0.048 20.320 ( 0.010 0.000 0.000) 0.010 20.320 ( -0.005 0.000 0.000) 0.005 20.329 ( 9.258 0.000 0.000) 9.258 20.399 ( -16.164 0.000 0.000) 16.164 20.547 ( -12.886 0.000 0.000) 12.886 22.264 ( 2.227 0.000 0.000) 2.227 22.277 ( 0.873 0.000 0.000) 0.873 22.771 ( 10.355 0.000 0.000) 10.355 22.939 ( -7.100 0.000 0.000) 7.100 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 30.491 0.000) 30.491 0.732 ( 0.000 37.205 0.000) 37.205 1.119 ( 0.000 56.278 0.000) 56.278 1.875 ( 0.000 9.192 0.000) 9.192 2.313 ( 0.000 19.480 0.000) 19.480 2.385 ( 0.000 8.144 0.000) 8.144 2.396 ( 0.000 -3.032 0.000) 3.032 2.455 ( 0.000 13.007 0.000) 13.007 2.680 ( 0.000 9.794 0.000) 9.794 2.840 ( 0.000 4.853 0.000) 4.853 3.448 ( 0.000 -0.432 0.000) 0.432 3.501 ( 0.000 -1.464 0.000) 1.464 3.543 ( 0.000 -7.651 0.000) 7.651 3.546 ( 0.000 10.156 0.000) 10.156 3.588 ( 0.000 4.150 0.000) 4.150 3.729 ( 0.000 0.369 0.000) 0.369 3.763 ( 0.000 0.659 0.000) 0.659 3.958 ( 0.000 19.133 0.000) 19.133 4.062 ( 0.000 19.209 0.000) 19.209 4.131 ( 0.000 20.568 0.000) 20.568 4.402 ( 0.000 9.634 0.000) 9.634 4.405 ( 0.000 8.566 0.000) 8.566 4.724 ( 0.000 14.070 0.000) 14.070 4.734 ( 0.000 17.142 0.000) 17.142 4.743 ( 0.000 0.602 0.000) 0.602 4.969 ( 0.000 5.317 0.000) 5.317 5.055 ( 0.000 4.685 0.000) 4.685 5.110 ( 0.000 0.790 0.000) 0.790 5.671 ( 0.000 1.524 0.000) 1.524 5.921 ( 0.000 -0.326 0.000) 0.326 5.969 ( 0.000 1.766 0.000) 1.766 6.259 ( 0.000 -0.072 0.000) 0.072 6.275 ( 0.000 -1.295 0.000) 1.295 6.309 ( 0.000 -0.576 0.000) 0.576 6.566 ( 0.000 -5.331 0.000) 5.331 6.849 ( 0.000 -1.727 0.000) 1.727 6.876 ( 0.000 -2.448 0.000) 2.448 7.297 ( 0.000 7.890 0.000) 7.890 7.366 ( 0.000 -4.440 0.000) 4.440 7.371 ( 0.000 -0.366 0.000) 0.366 7.567 ( 0.000 -6.702 0.000) 6.702 7.580 ( 0.000 5.351 0.000) 5.351 7.669 ( 0.000 9.532 0.000) 9.532 7.798 ( 0.000 1.133 0.000) 1.133 7.810 ( 0.000 14.241 0.000) 14.241 8.468 ( 0.000 0.071 0.000) 0.071 8.479 ( 0.000 -2.014 0.000) 2.014 8.634 ( 0.000 2.029 0.000) 2.029 8.675 ( 0.000 -6.950 0.000) 6.950 8.795 ( 0.000 6.722 0.000) 6.722 8.852 ( 0.000 12.216 0.000) 12.216 9.032 ( 0.000 7.561 0.000) 7.561 9.703 ( 0.000 -4.450 0.000) 4.450 10.226 ( 0.000 -7.701 0.000) 7.701 10.456 ( 0.000 -1.900 0.000) 1.900 10.687 ( 0.000 -0.848 0.000) 0.848 10.704 ( 0.000 -3.087 0.000) 3.087 10.803 ( 0.000 -7.250 0.000) 7.250 10.883 ( 0.000 -2.267 0.000) 2.267 10.999 ( 0.000 -34.374 0.000) 34.374 11.062 ( 0.000 12.505 0.000) 12.505 11.151 ( 0.000 -7.410 0.000) 7.410 11.254 ( 0.000 -18.488 0.000) 18.488 11.451 ( 0.000 -5.582 0.000) 5.582 11.500 ( 0.000 -12.989 0.000) 12.989 11.528 ( 0.000 -13.050 0.000) 13.050 11.949 ( 0.000 -0.106 0.000) 0.106 12.070 ( 0.000 -2.460 0.000) 2.460 12.579 ( 0.000 18.964 0.000) 18.964 13.098 ( 0.000 2.480 0.000) 2.480 13.268 ( 0.000 1.558 0.000) 1.558 13.936 ( 0.000 -8.293 0.000) 8.293 13.988 ( 0.000 25.643 0.000) 25.643 14.054 ( 0.000 -4.949 0.000) 4.949 14.352 ( 0.000 1.426 0.000) 1.426 14.530 ( 0.000 7.852 0.000) 7.852 14.988 ( 0.000 -3.331 0.000) 3.331 15.155 ( 0.000 -1.774 0.000) 1.774 15.491 ( 0.000 -0.623 0.000) 0.623 15.685 ( 0.000 -4.956 0.000) 4.956 17.067 ( 0.000 4.927 0.000) 4.927 17.074 ( 0.000 5.414 0.000) 5.414 18.016 ( 0.000 -6.838 0.000) 6.838 18.531 ( 0.000 -14.149 0.000) 14.149 18.759 ( 0.000 -4.109 0.000) 4.109 19.660 ( 0.000 -26.723 0.000) 26.723 19.844 ( 0.000 -31.034 0.000) 31.034 19.867 ( 0.000 -29.998 0.000) 29.998 20.755 ( 0.000 19.133 0.000) 19.133 21.172 ( 0.000 13.676 0.000) 13.676 21.184 ( 0.000 17.111 0.000) 17.111 21.683 ( 0.000 -29.024 0.000) 29.024 22.329 ( 0.000 16.954 0.000) 16.954 22.460 ( 0.000 10.748 0.000) 10.748 22.493 ( 0.000 6.021 0.000) 6.021 22.772 ( 0.000 26.292 0.000) 26.292 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 13.263 31.085 0.000) 33.797 0.922 ( 24.075 22.508 0.000) 32.957 1.401 ( 25.063 36.937 0.000) 44.638 1.973 ( 8.437 11.356 0.000) 14.147 2.147 ( -14.523 15.577 0.000) 21.297 2.320 ( -0.448 6.155 0.000) 6.171 2.364 ( -1.619 4.549 0.000) 4.828 2.480 ( 2.618 12.625 0.000) 12.893 2.648 ( -1.857 9.265 0.000) 9.449 3.022 ( 11.903 1.785 0.000) 12.036 3.157 ( -18.427 1.981 0.000) 18.533 3.265 ( -16.429 -1.652 0.000) 16.512 3.504 ( -5.122 2.012 0.000) 5.503 3.566 ( -5.926 9.017 0.000) 10.790 3.657 ( 6.442 5.679 0.000) 8.588 3.801 ( 5.775 1.838 0.000) 6.061 3.872 ( 9.439 2.228 0.000) 9.698 4.065 ( 6.373 15.760 0.000) 16.999 4.142 ( 10.297 8.647 0.000) 13.446 4.233 ( -3.516 14.324 0.000) 14.749 4.350 ( -5.507 8.537 0.000) 10.159 4.403 ( -2.899 9.271 0.000) 9.714 4.591 ( -11.662 4.340 0.000) 12.443 4.648 ( -3.438 15.629 0.000) 16.003 4.703 ( -0.799 14.918 0.000) 14.939 4.856 ( -7.503 9.079 0.000) 11.778 5.113 ( 11.354 2.573 0.000) 11.642 5.295 ( 13.988 0.693 0.000) 14.005 5.625 ( -4.397 2.328 0.000) 4.975 5.919 ( -3.655 -0.148 0.000) 3.658 5.959 ( -1.948 0.321 0.000) 1.975 6.116 ( -10.439 0.107 0.000) 10.440 6.323 ( 3.261 -1.159 0.000) 3.461 6.339 ( 2.240 -1.549 0.000) 2.723 6.709 ( 9.837 -6.355 0.000) 11.711 6.895 ( 1.803 -2.888 0.000) 3.404 6.930 ( 7.707 -2.577 0.000) 8.127 7.301 ( 0.451 7.045 0.000) 7.059 7.348 ( -3.780 -4.534 0.000) 5.903 7.404 ( 4.849 -1.619 0.000) 5.112 7.565 ( -6.997 6.144 0.000) 9.312 7.582 ( 0.036 1.018 0.000) 1.019 7.656 ( -1.278 7.382 0.000) 7.492 7.723 ( -5.155 5.559 0.000) 7.581 7.811 ( 0.761 14.477 0.000) 14.496 7.932 ( -12.163 23.260 0.000) 26.248 8.467 ( 0.280 -2.617 0.000) 2.632 8.679 ( 3.748 6.082 0.000) 7.144 8.724 ( -0.424 0.839 0.000) 0.940 8.772 ( -3.698 3.868 0.000) 5.351 8.933 ( 7.136 8.618 0.000) 11.189 9.519 ( 22.224 -18.123 0.000) 28.677 9.556 ( -10.358 -1.586 0.000) 10.479 10.185 ( -4.331 -6.607 0.000) 7.900 10.466 ( 2.072 -1.396 0.000) 2.498 10.467 ( -12.834 2.677 0.000) 13.110 10.659 ( -11.804 -2.213 0.000) 12.010 10.807 ( 6.765 -10.466 0.000) 12.462 10.921 ( 1.771 -1.855 0.000) 2.565 10.986 ( -1.041 -28.169 0.000) 28.188 11.071 ( -1.392 -7.315 0.000) 7.446 11.170 ( -11.728 -4.667 0.000) 12.622 11.273 ( 10.996 -1.653 0.000) 11.120 11.419 ( -3.238 -8.893 0.000) 9.464 11.524 ( 6.663 -3.891 0.000) 7.716 11.580 ( 4.385 -15.288 0.000) 15.904 11.925 ( -1.981 0.344 0.000) 2.011 12.050 ( -1.121 -2.647 0.000) 2.875 12.528 ( -4.155 16.440 0.000) 16.957 13.007 ( -14.211 16.861 0.000) 22.051 13.276 ( 0.677 2.543 0.000) 2.632 13.418 ( -21.259 20.556 0.000) 29.571 14.033 ( 2.670 1.783 0.000) 3.211 14.086 ( 2.558 -3.711 0.000) 4.507 14.420 ( 5.927 3.019 0.000) 6.651 14.530 ( 0.116 8.843 0.000) 8.843 14.813 ( -5.763 13.229 0.000) 14.430 14.974 ( -1.624 -3.293 0.000) 3.671 15.524 ( 3.614 -1.401 0.000) 3.876 15.895 ( 0.088 -10.975 0.000) 10.975 17.069 ( 0.251 4.949 0.000) 4.955 17.074 ( 0.299 5.017 0.000) 5.026 18.540 ( 15.842 -33.812 0.000) 37.340 18.541 ( 1.047 -14.378 0.000) 14.417 18.876 ( 20.633 -17.878 0.000) 27.301 19.687 ( 2.565 -27.020 0.000) 27.142 19.787 ( -6.090 -31.936 0.000) 32.512 19.853 ( -1.533 -29.990 0.000) 30.029 20.760 ( 0.865 19.073 0.000) 19.093 21.072 ( -8.306 15.522 0.000) 17.605 21.113 ( -7.230 17.972 0.000) 19.372 21.236 ( -25.021 13.190 0.000) 28.285 22.348 ( 2.365 15.701 0.000) 15.878 22.398 ( 0.079 17.299 0.000) 17.299 22.608 ( 9.782 5.910 0.000) 11.429 22.960 ( 4.751 2.800 0.000) 5.515 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 19.619 21.664 0.000) 29.227 1.366 ( 21.820 19.834 0.000) 29.487 1.552 ( -11.964 17.667 0.000) 21.337 1.803 ( -20.927 18.114 0.000) 27.678 2.329 ( 29.581 11.400 0.000) 31.701 2.412 ( 6.590 3.916 0.000) 7.665 2.487 ( 8.350 2.860 0.000) 8.826 2.557 ( 5.199 9.174 0.000) 10.544 2.599 ( -3.588 9.427 0.000) 10.087 2.873 ( -21.026 4.574 0.000) 21.518 2.917 ( 1.721 9.443 0.000) 9.598 3.214 ( -0.932 -1.994 0.000) 2.201 3.363 ( -16.530 4.969 0.000) 17.261 3.379 ( -6.301 2.302 0.000) 6.708 3.791 ( 4.364 5.277 0.000) 6.848 3.816 ( -2.038 10.512 0.000) 10.708 4.033 ( 6.654 8.168 0.000) 10.535 4.060 ( -0.523 13.573 0.000) 13.583 4.199 ( -1.179 9.594 0.000) 9.666 4.210 ( 2.766 10.975 0.000) 11.319 4.259 ( -1.813 4.955 0.000) 5.276 4.340 ( -9.635 5.974 0.000) 11.337 4.412 ( 2.989 7.391 0.000) 7.972 4.550 ( -7.617 12.386 0.000) 14.541 4.800 ( 7.617 13.066 0.000) 15.124 4.865 ( 1.177 11.811 0.000) 11.869 5.372 ( 14.103 3.089 0.000) 14.438 5.517 ( 3.263 0.560 0.000) 3.311 5.580 ( 4.852 3.768 0.000) 6.143 5.764 ( -10.896 -0.617 0.000) 10.913 5.880 ( -4.170 0.237 0.000) 4.177 5.928 ( -8.228 1.703 0.000) 8.403 6.371 ( 1.354 -1.514 0.000) 2.031 6.372 ( 1.048 -1.512 0.000) 1.839 6.870 ( 6.685 -3.293 0.000) 7.452 6.925 ( 0.508 -2.902 0.000) 2.946 7.054 ( 5.182 -6.220 0.000) 8.096 7.195 ( -9.958 -3.719 0.000) 10.629 7.322 ( 2.052 7.990 0.000) 8.249 7.390 ( -5.538 11.245 0.000) 12.535 7.552 ( 8.733 2.012 0.000) 8.962 7.603 ( 1.309 0.507 0.000) 1.404 7.630 ( -1.316 3.121 0.000) 3.387 7.679 ( -4.145 3.726 0.000) 5.574 7.855 ( 3.380 14.016 0.000) 14.418 7.890 ( 0.423 13.594 0.000) 13.600 8.522 ( 5.542 -2.543 0.000) 6.098 8.652 ( -7.008 0.313 0.000) 7.015 8.749 ( 2.687 6.915 0.000) 7.419 8.751 ( 1.652 3.680 0.000) 4.034 9.070 ( 7.320 6.916 0.000) 10.070 9.266 ( -14.004 5.324 0.000) 14.981 9.893 ( 14.530 -16.285 0.000) 21.825 10.082 ( -6.343 -10.398 0.000) 12.180 10.317 ( -2.107 0.199 0.000) 2.117 10.410 ( -10.701 -0.616 0.000) 10.719 10.584 ( 9.073 4.759 0.000) 10.246 10.835 ( -15.392 10.433 0.000) 18.594 10.917 ( 3.644 -23.665 0.000) 23.944 10.961 ( -1.580 -23.757 0.000) 23.809 10.984 ( 1.240 -5.578 0.000) 5.714 11.032 ( -2.561 -11.165 0.000) 11.455 11.435 ( 4.253 -7.881 0.000) 8.955 11.437 ( 2.545 -6.827 0.000) 7.286 11.640 ( 1.788 -11.421 0.000) 11.560 11.641 ( 3.046 -2.113 0.000) 3.708 11.931 ( 4.485 0.531 0.000) 4.517 12.023 ( -2.743 -2.258 0.000) 3.553 12.485 ( 1.627 14.322 0.000) 14.414 12.655 ( -16.284 20.691 0.000) 26.330 13.286 ( 0.252 3.690 0.000) 3.698 13.290 ( -0.675 4.532 0.000) 4.582 14.087 ( 2.612 -0.211 0.000) 2.621 14.116 ( 0.024 -1.853 0.000) 1.853 14.516 ( 2.948 9.356 0.000) 9.810 14.535 ( 0.190 11.000 0.000) 11.002 14.824 ( 4.424 2.823 0.000) 5.248 14.918 ( -4.357 -2.376 0.000) 4.962 15.631 ( 7.567 -3.417 0.000) 8.303 15.792 ( -8.422 -6.044 0.000) 10.366 17.075 ( 0.336 4.951 0.000) 4.962 17.079 ( 0.041 4.887 0.000) 4.887 18.567 ( 1.510 -15.043 0.000) 15.118 18.595 ( -1.239 -16.935 0.000) 16.980 19.313 ( 19.449 -35.494 0.000) 40.473 19.611 ( -12.433 -33.724 0.000) 35.943 19.747 ( 3.474 -28.159 0.000) 28.372 19.810 ( -2.936 -29.521 0.000) 29.667 20.803 ( 3.996 18.698 0.000) 19.120 20.915 ( -7.484 17.328 0.000) 18.876 20.961 ( -5.431 20.738 0.000) 21.437 20.973 ( -5.540 20.267 0.000) 21.011 22.398 ( 2.160 15.036 0.000) 15.190 22.414 ( 0.478 15.373 0.000) 15.380 22.800 ( 9.448 4.590 0.000) 10.504 22.942 ( -5.038 3.212 0.000) 5.975 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.000 30.905 0.000) 30.905 1.425 ( 0.000 34.347 0.000) 34.347 2.003 ( 0.000 24.499 0.000) 24.499 2.279 ( 0.000 41.635 0.000) 41.635 2.413 ( 0.000 5.406 0.000) 5.406 2.610 ( 0.000 15.386 0.000) 15.386 2.713 ( 0.000 17.730 0.000) 17.730 2.752 ( 0.000 15.852 0.000) 15.852 2.929 ( 0.000 15.886 0.000) 15.886 3.012 ( 0.000 14.442 0.000) 14.442 3.466 ( 0.000 3.205 0.000) 3.205 3.477 ( 0.000 0.924 0.000) 0.924 3.532 ( 0.000 4.660 0.000) 4.660 3.689 ( 0.000 1.839 0.000) 1.839 3.705 ( 0.000 7.926 0.000) 7.926 3.839 ( 0.000 11.981 0.000) 11.981 3.848 ( 0.000 8.039 0.000) 8.039 4.399 ( 0.000 24.765 0.000) 24.765 4.448 ( 0.000 10.614 0.000) 10.614 4.487 ( 0.000 22.228 0.000) 22.228 4.612 ( 0.000 10.837 0.000) 10.837 4.709 ( 0.000 22.338 0.000) 22.338 4.736 ( 0.000 -0.491 0.000) 0.491 5.051 ( 0.000 16.042 0.000) 16.042 5.113 ( 0.000 21.157 0.000) 21.157 5.133 ( 0.000 12.101 0.000) 12.101 5.154 ( 0.000 4.334 0.000) 4.334 5.253 ( 0.000 16.305 0.000) 16.305 5.767 ( 0.000 10.247 0.000) 10.247 5.915 ( 0.000 -0.052 0.000) 0.052 6.033 ( 0.000 5.094 0.000) 5.094 6.246 ( 0.000 -2.277 0.000) 2.277 6.266 ( 0.000 0.751 0.000) 0.751 6.280 ( 0.000 -2.552 0.000) 2.552 6.442 ( 0.000 -6.261 0.000) 6.261 6.814 ( 0.000 -1.389 0.000) 1.389 6.840 ( 0.000 -0.403 0.000) 0.403 7.166 ( 0.000 -9.986 0.000) 9.986 7.275 ( 0.000 -9.280 0.000) 9.280 7.531 ( 0.000 3.021 0.000) 3.021 7.615 ( 0.000 17.603 0.000) 17.603 7.698 ( 0.000 5.739 0.000) 5.739 7.740 ( 0.000 -6.987 0.000) 6.987 7.848 ( 0.000 7.483 0.000) 7.483 8.098 ( 0.000 14.456 0.000) 14.456 8.501 ( 0.000 4.429 0.000) 4.429 8.503 ( 0.000 3.527 0.000) 3.527 8.530 ( 0.000 -7.862 0.000) 7.862 8.688 ( 0.000 3.353 0.000) 3.353 8.964 ( 0.000 10.357 0.000) 10.357 9.106 ( 0.000 12.014 0.000) 12.014 9.174 ( 0.000 6.160 0.000) 6.160 9.501 ( 0.000 -16.767 0.000) 16.767 10.119 ( 0.000 -1.375 0.000) 1.375 10.241 ( 0.000 -40.496 0.000) 40.496 10.439 ( 0.000 -0.206 0.000) 0.206 10.580 ( 0.000 -11.329 0.000) 11.329 10.638 ( 0.000 -9.565 0.000) 9.565 10.692 ( 0.000 -0.525 0.000) 0.525 10.776 ( 0.000 -10.411 0.000) 10.411 10.819 ( 0.000 -20.395 0.000) 20.395 10.858 ( 0.000 -18.555 0.000) 18.555 11.236 ( 0.000 -10.386 0.000) 10.386 11.241 ( 0.000 -11.787 0.000) 11.787 11.358 ( 0.000 -3.513 0.000) 3.513 11.414 ( 0.000 17.133 0.000) 17.133 11.960 ( 0.000 -0.630 0.000) 0.630 12.105 ( 0.000 4.087 0.000) 4.087 12.839 ( 0.000 8.091 0.000) 8.091 13.151 ( 0.000 2.609 0.000) 2.609 13.300 ( 0.000 0.688 0.000) 0.688 13.703 ( 0.000 -15.319 0.000) 15.319 13.945 ( 0.000 -4.885 0.000) 4.885 14.405 ( 0.000 4.162 0.000) 4.162 14.511 ( 0.000 26.311 0.000) 26.311 14.731 ( 0.000 11.814 0.000) 11.814 14.896 ( 0.000 -5.880 0.000) 5.880 15.098 ( 0.000 -4.222 0.000) 4.222 15.471 ( 0.000 -1.248 0.000) 1.248 15.547 ( 0.000 -9.107 0.000) 9.107 17.199 ( 0.000 8.455 0.000) 8.455 17.217 ( 0.000 9.040 0.000) 9.040 17.838 ( 0.000 -10.827 0.000) 10.827 18.162 ( 0.000 -22.026 0.000) 22.026 18.643 ( 0.000 -7.813 0.000) 7.813 19.221 ( 0.000 -18.765 0.000) 18.765 19.279 ( 0.000 -29.890 0.000) 29.890 19.318 ( 0.000 -23.178 0.000) 23.178 20.919 ( 0.000 -1.845 0.000) 1.845 21.130 ( 0.000 -27.951 0.000) 27.951 21.217 ( 0.000 -6.918 0.000) 6.918 21.314 ( 0.000 -4.335 0.000) 4.335 22.759 ( 0.000 21.249 0.000) 21.249 22.799 ( 0.000 28.461 0.000) 28.461 22.805 ( 0.000 24.014 0.000) 24.014 23.251 ( 0.000 23.198 0.000) 23.198 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 17.560 25.089 0.000) 30.624 1.493 ( 7.047 32.410 0.000) 33.167 2.036 ( 1.791 22.002 0.000) 22.075 2.363 ( -5.048 9.076 0.000) 10.385 2.410 ( 12.764 32.268 0.000) 34.700 2.540 ( -3.826 19.177 0.000) 19.555 2.621 ( -8.681 16.640 0.000) 18.768 2.765 ( 1.022 14.815 0.000) 14.850 2.893 ( -1.960 15.641 0.000) 15.763 3.104 ( 6.765 7.494 0.000) 10.095 3.277 ( -10.115 11.168 0.000) 15.068 3.303 ( -12.779 5.428 0.000) 13.884 3.570 ( -2.049 5.933 0.000) 6.277 3.693 ( -3.349 6.089 0.000) 6.950 3.812 ( 4.972 9.360 0.000) 10.598 3.927 ( 12.000 3.858 0.000) 12.605 3.946 ( 8.168 11.369 0.000) 13.999 4.442 ( 2.467 20.401 0.000) 20.549 4.447 ( -4.190 11.477 0.000) 12.218 4.473 ( 5.665 19.812 0.000) 20.606 4.540 ( -6.757 10.409 0.000) 12.409 4.608 ( -8.246 2.377 0.000) 8.582 4.743 ( -9.669 20.093 0.000) 22.298 5.010 ( -1.925 18.790 0.000) 18.888 5.063 ( -1.491 20.853 0.000) 20.907 5.172 ( -0.802 20.977 0.000) 20.992 5.206 ( 10.055 8.846 0.000) 13.392 5.314 ( 10.306 1.867 0.000) 10.474 5.763 ( -0.020 12.379 0.000) 12.379 5.923 ( -3.209 0.762 0.000) 3.298 5.997 ( -3.799 3.922 0.000) 5.460 6.116 ( -8.284 -0.541 0.000) 8.302 6.311 ( 2.374 0.198 0.000) 2.382 6.311 ( 2.536 -1.825 0.000) 3.125 6.565 ( 10.294 -7.700 0.000) 12.855 6.846 ( 0.726 -1.400 0.000) 1.577 6.878 ( 4.574 -2.629 0.000) 5.275 7.200 ( 4.257 -8.756 0.000) 9.736 7.213 ( -6.410 -9.251 0.000) 11.254 7.543 ( 1.538 -0.228 0.000) 1.555 7.640 ( 2.698 16.333 0.000) 16.554 7.651 ( -6.581 -2.442 0.000) 7.019 7.788 ( 4.297 5.635 0.000) 7.086 7.795 ( -4.977 6.201 0.000) 7.951 8.103 ( 1.039 14.046 0.000) 14.084 8.215 ( -10.690 4.728 0.000) 11.688 8.463 ( -1.351 2.329 0.000) 2.693 8.739 ( 5.315 1.014 0.000) 5.411 8.792 ( 7.704 5.376 0.000) 9.394 8.882 ( -6.000 7.837 0.000) 9.870 9.144 ( 3.590 11.499 0.000) 12.046 9.356 ( 11.333 -3.687 0.000) 11.918 9.477 ( 1.546 -6.765 0.000) 6.939 10.109 ( -2.678 -3.711 0.000) 4.576 10.271 ( 2.668 -34.416 0.000) 34.520 10.422 ( 0.964 -3.613 0.000) 3.739 10.445 ( -9.448 -14.111 0.000) 16.982 10.548 ( -11.276 -2.881 0.000) 11.638 10.568 ( -7.503 -5.682 0.000) 9.411 10.780 ( 0.240 -15.152 0.000) 15.154 10.822 ( 0.041 -20.751 0.000) 20.751 10.990 ( 8.830 -13.445 0.000) 16.086 11.142 ( -9.073 -12.699 0.000) 15.608 11.232 ( -4.484 -2.050 0.000) 4.931 11.369 ( 10.395 -4.731 0.000) 11.421 11.627 ( 12.578 11.517 0.000) 17.054 11.941 ( -1.421 -0.290 0.000) 1.450 12.070 ( -2.759 3.081 0.000) 4.136 12.738 ( -7.667 5.777 0.000) 9.600 13.158 ( -1.134 3.978 0.000) 4.136 13.335 ( 2.433 2.559 0.000) 3.531 13.563 ( -14.710 -7.498 0.000) 16.511 13.996 ( 4.359 -4.330 0.000) 6.144 14.278 ( -13.786 19.380 0.000) 23.783 14.487 ( 6.780 4.944 0.000) 8.391 14.758 ( 2.688 13.361 0.000) 13.629 14.884 ( -1.251 -5.711 0.000) 5.847 15.017 ( -3.615 7.838 0.000) 8.631 15.484 ( 1.518 -2.508 0.000) 2.931 15.654 ( 3.538 -13.334 0.000) 13.796 17.201 ( 0.266 8.453 0.000) 8.457 17.211 ( -0.243 8.766 0.000) 8.770 17.988 ( 10.975 -21.294 0.000) 23.956 18.163 ( 0.116 -22.565 0.000) 22.565 18.694 ( 6.111 -8.554 0.000) 10.512 19.232 ( 1.039 -19.973 0.000) 20.000 19.249 ( -4.643 -26.081 0.000) 26.491 19.289 ( -1.508 -25.392 0.000) 25.437 20.923 ( 0.547 -2.393 0.000) 2.455 21.073 ( -4.108 -19.322 0.000) 19.753 21.151 ( -6.122 -5.911 0.000) 8.510 21.253 ( -5.839 -3.487 0.000) 6.801 22.785 ( 2.394 26.318 0.000) 26.427 22.818 ( 1.177 24.876 0.000) 24.904 22.866 ( 6.493 21.221 0.000) 22.192 23.230 ( -2.471 20.576 0.000) 20.723 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 12.112 27.314 0.000) 29.879 1.737 ( 17.397 18.997 0.000) 25.760 1.965 ( -7.811 22.233 0.000) 23.565 2.151 ( -17.066 16.131 0.000) 23.484 2.545 ( 1.689 9.041 0.000) 9.198 2.548 ( 4.722 7.901 0.000) 9.204 2.715 ( 14.269 23.289 0.000) 27.313 2.775 ( 1.065 11.207 0.000) 11.258 2.842 ( -3.803 14.496 0.000) 14.987 2.998 ( -15.542 9.063 0.000) 17.992 3.227 ( 6.617 21.754 0.000) 22.738 3.265 ( 5.773 7.226 0.000) 9.249 3.468 ( -5.799 8.757 0.000) 10.503 3.545 ( -11.770 14.903 0.000) 18.990 3.953 ( 8.228 9.839 0.000) 12.827 4.048 ( 0.424 12.566 0.000) 12.573 4.169 ( 12.191 4.557 0.000) 13.015 4.336 ( -5.157 11.486 0.000) 12.590 4.399 ( -6.013 8.401 0.000) 10.331 4.416 ( -10.217 1.818 0.000) 10.378 4.466 ( 0.372 19.481 0.000) 19.484 4.523 ( -6.903 21.692 0.000) 22.764 4.672 ( 12.285 19.071 0.000) 22.685 4.893 ( -9.872 20.740 0.000) 22.970 5.118 ( 4.712 17.717 0.000) 18.333 5.175 ( -0.921 17.265 0.000) 17.290 5.491 ( 15.896 10.492 0.000) 19.046 5.515 ( 10.952 0.686 0.000) 10.973 5.745 ( -5.089 12.803 0.000) 13.778 5.764 ( -11.357 1.379 0.000) 11.440 5.916 ( -1.503 3.721 0.000) 4.013 5.980 ( -5.983 3.402 0.000) 6.883 6.350 ( 1.218 -0.593 0.000) 1.355 6.350 ( 1.175 -0.946 0.000) 1.508 6.776 ( 10.790 -6.343 0.000) 12.517 6.864 ( 0.621 -2.805 0.000) 2.873 6.926 ( 1.265 -5.966 0.000) 6.099 7.046 ( -10.402 -9.497 0.000) 14.085 7.328 ( 8.072 -5.341 0.000) 9.679 7.483 ( -8.374 -3.125 0.000) 8.938 7.605 ( 3.465 1.246 0.000) 3.682 7.690 ( -5.334 3.128 0.000) 6.183 7.715 ( 4.813 12.117 0.000) 13.038 7.799 ( -3.109 8.481 0.000) 9.033 8.138 ( 1.934 12.176 0.000) 12.329 8.147 ( 0.615 7.936 0.000) 7.960 8.499 ( 5.619 0.604 0.000) 5.651 8.662 ( -9.955 1.878 0.000) 10.131 8.877 ( 3.454 8.469 0.000) 9.147 8.899 ( 2.335 7.555 0.000) 7.908 9.229 ( 5.149 8.753 0.000) 10.155 9.331 ( -5.409 -0.382 0.000) 5.422 9.739 ( 16.339 -0.349 0.000) 16.343 9.988 ( -9.717 -0.611 0.000) 9.736 10.299 ( 0.357 -30.319 0.000) 30.321 10.299 ( -3.998 -9.103 0.000) 9.942 10.381 ( -7.556 -7.518 0.000) 10.659 10.385 ( -5.242 -19.779 0.000) 20.461 10.583 ( 13.191 -2.462 0.000) 13.419 10.789 ( 0.304 -16.741 0.000) 16.744 10.813 ( -0.897 -19.207 0.000) 19.228 10.879 ( -15.062 -4.751 0.000) 15.794 11.139 ( 4.395 -14.939 0.000) 15.572 11.188 ( -1.424 -9.779 0.000) 9.882 11.579 ( 10.813 0.466 0.000) 10.823 11.734 ( -3.669 5.249 0.000) 6.404 11.977 ( 5.003 3.265 0.000) 5.975 12.030 ( -1.399 1.717 0.000) 2.215 12.684 ( 5.485 6.707 0.000) 8.664 12.958 ( -19.139 9.233 0.000) 21.250 13.362 ( 0.351 3.135 0.000) 3.154 13.369 ( -2.126 1.674 0.000) 2.706 14.072 ( 3.167 -1.575 0.000) 3.537 14.128 ( -3.732 5.519 0.000) 6.662 14.645 ( 8.573 2.839 0.000) 9.031 14.773 ( -3.745 6.796 0.000) 7.760 14.889 ( 3.370 4.663 0.000) 5.754 14.960 ( -3.202 11.255 0.000) 11.702 15.537 ( 4.166 -6.074 0.000) 7.365 15.630 ( -4.585 -10.367 0.000) 11.336 17.207 ( 0.283 8.407 0.000) 8.411 17.210 ( 0.000 8.391 0.000) 8.391 18.128 ( 3.650 -25.844 0.000) 26.100 18.161 ( -0.538 -24.062 0.000) 24.068 18.878 ( 12.095 -14.823 0.000) 19.131 19.100 ( -10.368 -20.897 0.000) 23.327 19.252 ( 0.984 -22.735 0.000) 22.757 19.270 ( -0.870 -25.533 0.000) 25.547 20.947 ( 2.346 -4.810 0.000) 5.352 21.027 ( -5.983 -5.178 0.000) 7.913 21.043 ( 1.769 -6.786 0.000) 7.012 21.128 ( -6.365 -2.749 0.000) 6.934 22.828 ( 1.596 26.838 0.000) 26.886 22.838 ( 0.496 25.866 0.000) 25.871 23.013 ( 8.100 17.548 0.000) 19.327 23.150 ( -5.968 17.761 0.000) 18.737 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.000 30.983 0.000) 30.983 2.049 ( 0.000 30.077 0.000) 30.077 2.387 ( 0.000 19.717 0.000) 19.717 2.600 ( 0.000 13.433 0.000) 13.433 2.859 ( 0.000 17.062 0.000) 17.062 2.956 ( 0.000 9.628 0.000) 9.628 3.017 ( 0.000 11.427 0.000) 11.427 3.209 ( 0.000 40.943 0.000) 40.943 3.278 ( 0.000 19.427 0.000) 19.427 3.364 ( 0.000 18.803 0.000) 18.803 3.568 ( 0.000 7.603 0.000) 7.603 3.593 ( 0.000 9.826 0.000) 9.826 3.678 ( 0.000 10.727 0.000) 10.727 3.685 ( 0.000 -1.239 0.000) 1.239 3.880 ( 0.000 9.304 0.000) 9.304 4.056 ( 0.000 13.070 0.000) 13.070 4.081 ( 0.000 11.525 0.000) 11.525 4.602 ( 0.000 6.218 0.000) 6.218 4.621 ( 0.000 -4.099 0.000) 4.099 4.666 ( 0.000 2.458 0.000) 2.458 4.982 ( 0.000 21.071 0.000) 21.071 4.987 ( 0.000 27.634 0.000) 27.634 5.102 ( 0.000 15.496 0.000) 15.496 5.230 ( 0.000 3.694 0.000) 3.694 5.276 ( 0.000 7.532 0.000) 7.532 5.462 ( 0.000 21.528 0.000) 21.528 5.552 ( 0.000 23.116 0.000) 23.116 5.658 ( 0.000 24.042 0.000) 24.042 5.933 ( 0.000 2.592 0.000) 2.592 6.006 ( 0.000 4.687 0.000) 4.687 6.116 ( 0.000 -11.419 0.000) 11.419 6.159 ( 0.000 6.732 0.000) 6.732 6.279 ( 0.000 0.332 0.000) 0.332 6.295 ( 0.000 12.308 0.000) 12.308 6.421 ( 0.000 5.073 0.000) 5.073 6.820 ( 0.000 2.758 0.000) 2.758 6.879 ( 0.000 4.241 0.000) 4.241 6.960 ( 0.000 -11.020 0.000) 11.020 7.092 ( 0.000 -7.707 0.000) 7.707 7.517 ( 0.000 -12.096 0.000) 12.096 7.657 ( 0.000 5.852 0.000) 5.852 7.750 ( 0.000 -1.571 0.000) 1.571 7.957 ( 0.000 4.470 0.000) 4.470 7.970 ( 0.000 18.581 0.000) 18.581 8.321 ( 0.000 7.307 0.000) 7.307 8.383 ( 0.000 -7.264 0.000) 7.264 8.592 ( 0.000 5.372 0.000) 5.372 8.625 ( 0.000 7.431 0.000) 7.431 8.752 ( 0.000 2.907 0.000) 2.907 9.037 ( 0.000 -19.834 0.000) 19.834 9.181 ( 0.000 11.695 0.000) 11.695 9.230 ( 0.000 0.459 0.000) 0.459 9.345 ( 0.000 3.703 0.000) 3.703 9.510 ( 0.000 -33.257 0.000) 33.257 10.167 ( 0.000 -7.503 0.000) 7.503 10.179 ( 0.000 -29.404 0.000) 29.404 10.309 ( 0.000 -7.282 0.000) 7.282 10.474 ( 0.000 -6.888 0.000) 6.888 10.481 ( 0.000 -12.859 0.000) 12.859 10.542 ( 0.000 -11.902 0.000) 11.902 10.563 ( 0.000 1.510 0.000) 1.510 10.693 ( 0.000 -7.515 0.000) 7.515 11.153 ( 0.000 -0.112 0.000) 0.112 11.196 ( 0.000 7.176 0.000) 7.176 11.321 ( 0.000 -0.256 0.000) 0.256 11.721 ( 0.000 14.427 0.000) 14.427 11.902 ( 0.000 -5.352 0.000) 5.352 12.201 ( 0.000 5.866 0.000) 5.866 12.915 ( 0.000 0.470 0.000) 0.470 13.182 ( 0.000 -0.108 0.000) 0.108 13.240 ( 0.000 -7.534 0.000) 7.534 13.367 ( 0.000 -18.586 0.000) 18.586 13.927 ( 0.000 3.571 0.000) 3.571 14.515 ( 0.000 7.228 0.000) 7.228 14.781 ( 0.000 -5.223 0.000) 5.223 14.918 ( 0.000 5.504 0.000) 5.504 14.953 ( 0.000 17.691 0.000) 17.691 14.993 ( 0.000 -6.370 0.000) 6.370 15.355 ( 0.000 -9.320 0.000) 9.320 15.464 ( 0.000 1.529 0.000) 1.529 17.381 ( 0.000 10.079 0.000) 10.079 17.410 ( 0.000 10.617 0.000) 10.617 17.629 ( 0.000 -10.139 0.000) 10.139 17.768 ( 0.000 -16.971 0.000) 16.971 18.462 ( 0.000 -10.815 0.000) 10.815 18.732 ( 0.000 -26.469 0.000) 26.469 18.919 ( 0.000 -13.062 0.000) 13.062 18.922 ( 0.000 -18.630 0.000) 18.630 20.615 ( 0.000 -24.966 0.000) 24.966 20.748 ( 0.000 -14.082 0.000) 14.082 20.986 ( 0.000 -15.619 0.000) 15.619 21.087 ( 0.000 -16.928 0.000) 16.928 23.233 ( 0.000 25.676 0.000) 25.676 23.311 ( 0.000 26.448 0.000) 26.448 23.336 ( 0.000 25.894 0.000) 25.894 23.663 ( 0.000 19.377 0.000) 19.377 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 10.130 27.252 0.000) 29.074 2.090 ( 4.209 29.006 0.000) 29.310 2.405 ( 1.165 18.675 0.000) 18.712 2.585 ( -1.960 14.025 0.000) 14.161 2.803 ( -4.538 16.990 0.000) 17.585 2.860 ( -10.295 9.107 0.000) 13.745 3.003 ( -1.773 10.356 0.000) 10.507 3.171 ( -1.413 32.077 0.000) 32.108 3.220 ( -6.090 14.838 0.000) 16.039 3.290 ( -2.904 12.001 0.000) 12.347 3.487 ( -1.803 14.002 0.000) 14.118 3.601 ( -0.684 19.402 0.000) 19.414 3.746 ( 6.855 13.583 0.000) 15.214 3.850 ( 6.825 9.665 0.000) 11.832 3.997 ( 7.967 8.755 0.000) 11.837 4.044 ( 2.785 9.401 0.000) 9.804 4.168 ( 7.750 10.339 0.000) 12.921 4.567 ( -5.225 -2.511 0.000) 5.797 4.580 ( -3.253 4.414 0.000) 5.484 4.631 ( -3.966 3.049 0.000) 5.002 4.911 ( -0.664 19.749 0.000) 19.760 4.947 ( -2.692 25.765 0.000) 25.905 5.177 ( -1.748 20.093 0.000) 20.168 5.283 ( 1.665 2.390 0.000) 2.913 5.302 ( 4.070 10.891 0.000) 11.626 5.403 ( -2.140 15.007 0.000) 15.158 5.552 ( 0.683 21.558 0.000) 21.569 5.652 ( 3.374 23.621 0.000) 23.860 5.962 ( -0.698 4.025 0.000) 4.085 6.012 ( 0.495 5.280 0.000) 5.303 6.072 ( -3.046 -4.336 0.000) 5.298 6.134 ( -2.761 10.747 0.000) 11.096 6.320 ( 2.184 8.229 0.000) 8.513 6.327 ( 2.254 1.262 0.000) 2.583 6.469 ( 7.096 -0.227 0.000) 7.099 6.849 ( 1.281 -0.112 0.000) 1.285 6.862 ( -1.398 2.901 0.000) 3.220 7.021 ( 6.823 -8.791 0.000) 11.128 7.031 ( -6.443 -7.766 0.000) 10.090 7.455 ( -4.748 -10.433 0.000) 11.463 7.619 ( -1.067 1.294 0.000) 1.677 7.893 ( -5.977 4.864 0.000) 7.706 7.897 ( 9.667 3.817 0.000) 10.393 7.965 ( -0.849 16.342 0.000) 16.364 8.209 ( -9.135 -2.139 0.000) 9.382 8.311 ( -0.516 7.385 0.000) 7.403 8.530 ( -4.568 2.947 0.000) 5.436 8.775 ( 10.187 1.448 0.000) 10.290 8.871 ( 6.940 2.248 0.000) 7.295 8.930 ( -8.869 -10.487 0.000) 13.735 9.236 ( 4.614 3.682 0.000) 5.903 9.297 ( 6.084 2.037 0.000) 6.417 9.477 ( 12.910 3.537 0.000) 13.385 9.556 ( 4.857 -28.126 0.000) 28.542 10.106 ( -7.868 -20.436 0.000) 21.898 10.176 ( -0.215 -11.963 0.000) 11.965 10.299 ( -1.781 -3.613 0.000) 4.029 10.345 ( -4.998 -23.142 0.000) 23.676 10.431 ( -3.619 -8.692 0.000) 9.415 10.515 ( -11.096 -5.057 0.000) 12.194 10.533 ( -1.807 1.763 0.000) 2.525 10.770 ( 9.906 -9.613 0.000) 13.804 11.029 ( -8.233 0.549 0.000) 8.251 11.214 ( -7.996 0.404 0.000) 8.006 11.369 ( 11.545 3.726 0.000) 12.131 11.830 ( 3.251 5.313 0.000) 6.229 11.914 ( 5.430 0.413 0.000) 5.446 12.148 ( -4.437 5.067 0.000) 6.735 12.785 ( -8.392 -0.101 0.000) 8.393 13.190 ( -1.911 -2.508 0.000) 3.153 13.321 ( 4.745 -4.992 0.000) 6.887 13.324 ( -2.816 -13.227 0.000) 13.523 13.978 ( 4.905 3.125 0.000) 5.815 14.534 ( -2.834 8.506 0.000) 8.966 14.633 ( -12.630 6.593 0.000) 14.248 14.773 ( -0.775 -4.987 0.000) 5.047 14.970 ( 5.075 6.136 0.000) 7.962 15.167 ( 4.762 8.359 0.000) 9.620 15.393 ( 2.579 -12.688 0.000) 12.947 15.453 ( -1.068 0.693 0.000) 1.273 17.383 ( 0.172 9.960 0.000) 9.962 17.396 ( -0.887 9.854 0.000) 9.894 17.670 ( 3.229 -12.207 0.000) 12.627 17.763 ( -0.502 -17.061 0.000) 17.068 18.497 ( 3.740 -11.848 0.000) 12.424 18.730 ( -0.340 -25.704 0.000) 25.706 18.898 ( -2.218 -17.638 0.000) 17.777 18.907 ( -1.219 -14.081 0.000) 14.134 20.627 ( 1.503 -22.424 0.000) 22.475 20.771 ( 2.361 -14.321 0.000) 14.514 20.929 ( -5.582 -15.552 0.000) 16.523 21.043 ( -4.382 -16.116 0.000) 16.701 23.282 ( 4.647 25.007 0.000) 25.435 23.323 ( 1.150 26.073 0.000) 26.099 23.347 ( 1.252 25.259 0.000) 25.290 23.632 ( -3.309 19.745 0.000) 20.021 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 13.320 20.454 0.000) 24.409 2.199 ( 6.200 25.374 0.000) 26.120 2.375 ( -4.681 20.070 0.000) 20.608 2.442 ( -13.146 14.861 0.000) 19.841 2.731 ( -0.433 10.486 0.000) 10.495 2.751 ( -1.023 13.078 0.000) 13.118 2.974 ( 0.887 10.592 0.000) 10.629 3.070 ( -7.864 9.374 0.000) 12.236 3.210 ( 4.813 26.156 0.000) 26.595 3.289 ( -1.399 19.756 0.000) 19.805 3.467 ( 1.198 13.396 0.000) 13.450 3.545 ( -5.045 11.019 0.000) 12.119 3.859 ( 4.377 28.488 0.000) 28.822 3.906 ( -0.214 19.937 0.000) 19.938 4.126 ( 10.121 7.161 0.000) 12.398 4.239 ( 11.807 3.701 0.000) 12.373 4.277 ( -0.219 10.353 0.000) 10.356 4.430 ( -7.861 0.527 0.000) 7.879 4.481 ( -4.604 4.181 0.000) 6.219 4.529 ( -5.941 4.838 0.000) 7.661 4.922 ( 0.731 25.198 0.000) 25.209 4.975 ( -0.433 19.262 0.000) 19.267 5.073 ( 2.420 23.325 0.000) 23.450 5.228 ( -7.384 10.690 0.000) 12.992 5.387 ( 3.534 9.286 0.000) 9.936 5.419 ( 0.391 8.246 0.000) 8.255 5.624 ( 6.962 11.831 0.000) 13.727 5.735 ( -0.270 8.377 0.000) 8.381 5.919 ( 1.609 18.813 0.000) 18.882 6.015 ( -1.375 5.758 0.000) 5.919 6.038 ( -0.825 2.116 0.000) 2.271 6.049 ( -4.966 16.337 0.000) 17.075 6.355 ( 1.019 1.472 0.000) 1.790 6.356 ( 1.114 3.592 0.000) 3.761 6.656 ( 11.077 -4.329 0.000) 11.892 6.842 ( -1.220 0.713 0.000) 1.413 6.851 ( -0.550 -1.728 0.000) 1.813 6.867 ( -9.430 -7.523 0.000) 12.064 7.186 ( 9.208 -8.103 0.000) 12.266 7.344 ( -7.198 -9.510 0.000) 11.927 7.644 ( 3.864 2.398 0.000) 4.547 7.756 ( -7.410 3.814 0.000) 8.334 7.955 ( 0.238 12.200 0.000) 12.202 7.979 ( -1.400 9.617 0.000) 9.718 8.178 ( 5.424 -2.208 0.000) 5.857 8.279 ( -3.816 3.716 0.000) 5.327 8.536 ( 5.846 1.474 0.000) 6.029 8.711 ( -11.115 0.558 0.000) 11.129 8.930 ( 3.923 -6.672 0.000) 7.740 8.952 ( 1.479 -4.003 0.000) 4.268 9.351 ( 6.690 7.624 0.000) 10.143 9.403 ( 2.811 7.662 0.000) 8.162 9.677 ( 7.008 -19.080 0.000) 20.326 9.734 ( 7.829 -4.022 0.000) 8.802 9.971 ( -0.212 -9.144 0.000) 9.146 10.130 ( -5.237 -0.802 0.000) 5.298 10.197 ( -7.039 -11.469 0.000) 13.457 10.252 ( -8.216 -16.072 0.000) 18.050 10.339 ( -2.563 -17.621 0.000) 17.806 10.350 ( -2.999 -20.296 0.000) 20.516 10.610 ( 9.784 4.816 0.000) 10.905 10.832 ( -11.960 2.357 0.000) 12.190 10.945 ( 7.751 -8.085 0.000) 11.200 11.076 ( -6.566 -3.345 0.000) 7.369 11.593 ( 11.418 0.945 0.000) 11.457 11.772 ( -6.700 -0.923 0.000) 6.764 12.042 ( 3.350 2.843 0.000) 4.394 12.077 ( -2.347 3.166 0.000) 3.941 12.759 ( 7.814 1.330 0.000) 7.926 13.010 ( -14.774 -3.667 0.000) 15.222 13.337 ( 2.397 -3.605 0.000) 4.329 13.365 ( -0.001 -3.325 0.000) 3.325 14.098 ( 7.717 4.565 0.000) 8.966 14.285 ( -12.590 9.075 0.000) 15.520 14.664 ( 4.944 0.441 0.000) 4.963 14.742 ( -2.835 -3.218 0.000) 4.288 15.093 ( 7.033 7.295 0.000) 10.133 15.191 ( -2.196 9.819 0.000) 10.062 15.414 ( 0.190 -10.041 0.000) 10.043 15.428 ( -1.309 -2.775 0.000) 3.068 17.386 ( 0.102 9.598 0.000) 9.598 17.387 ( -0.137 9.323 0.000) 9.324 17.721 ( 1.998 -15.373 0.000) 15.502 17.749 ( -1.031 -16.842 0.000) 16.873 18.595 ( 6.078 -15.743 0.000) 16.875 18.697 ( -3.785 -21.860 0.000) 22.186 18.863 ( -0.573 -16.586 0.000) 16.596 18.878 ( -1.575 -15.964 0.000) 16.042 20.685 ( 4.782 -18.422 0.000) 19.033 20.802 ( -7.065 -16.094 0.000) 17.576 20.837 ( 4.610 -14.348 0.000) 15.071 20.940 ( -5.922 -14.833 0.000) 15.972 23.344 ( 0.807 25.503 0.000) 25.516 23.346 ( 0.892 25.482 0.000) 25.498 23.417 ( 6.499 22.376 0.000) 23.301 23.542 ( -5.982 20.771 0.000) 21.615 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 0.000 30.341 0.000) 30.341 2.581 ( 0.000 24.862 0.000) 24.862 2.776 ( 0.000 19.982 0.000) 19.982 2.908 ( 0.000 17.818 0.000) 17.818 3.137 ( 0.000 9.541 0.000) 9.541 3.175 ( 0.000 15.971 0.000) 15.971 3.219 ( 0.000 10.370 0.000) 10.370 3.572 ( 0.000 3.472 0.000) 3.472 3.672 ( 0.000 9.761 0.000) 9.761 3.730 ( 0.000 12.487 0.000) 12.487 3.738 ( 0.000 12.278 0.000) 12.278 3.769 ( 0.000 15.611 0.000) 15.611 3.812 ( 0.000 11.590 0.000) 11.590 4.027 ( 0.000 5.417 0.000) 5.417 4.030 ( 0.000 24.951 0.000) 24.951 4.260 ( 0.000 7.077 0.000) 7.077 4.342 ( 0.000 16.322 0.000) 16.322 4.519 ( 0.000 -5.915 0.000) 5.915 4.655 ( 0.000 -2.360 0.000) 2.360 4.702 ( 0.000 4.178 0.000) 4.178 5.252 ( 0.000 -0.975 0.000) 0.975 5.295 ( 0.000 4.639 0.000) 4.639 5.350 ( 0.000 16.479 0.000) 16.479 5.423 ( 0.000 8.490 0.000) 8.490 5.513 ( 0.000 24.555 0.000) 24.555 5.840 ( 0.000 13.908 0.000) 13.908 5.845 ( 0.000 -14.058 0.000) 14.058 5.888 ( 0.000 -2.047 0.000) 2.047 6.010 ( 0.000 15.295 0.000) 15.295 6.043 ( 0.000 7.811 0.000) 7.811 6.125 ( 0.000 20.719 0.000) 20.719 6.205 ( 0.000 -3.437 0.000) 3.437 6.318 ( 0.000 7.300 0.000) 7.300 6.600 ( 0.000 11.752 0.000) 11.752 6.691 ( 0.000 18.773 0.000) 18.773 6.774 ( 0.000 -5.917 0.000) 5.917 6.932 ( 0.000 8.484 0.000) 8.484 6.966 ( 0.000 4.499 0.000) 4.499 7.059 ( 0.000 4.863 0.000) 4.863 7.232 ( 0.000 -15.457 0.000) 15.457 7.659 ( 0.000 -4.327 0.000) 4.327 7.811 ( 0.000 9.065 0.000) 9.065 8.033 ( 0.000 3.232 0.000) 3.232 8.220 ( 0.000 -9.520 0.000) 9.520 8.274 ( 0.000 0.024 0.000) 0.024 8.358 ( 0.000 8.100 0.000) 8.100 8.706 ( 0.000 6.435 0.000) 6.435 8.753 ( 0.000 4.981 0.000) 4.981 8.777 ( 0.000 -5.687 0.000) 5.687 8.798 ( 0.000 2.201 0.000) 2.201 9.037 ( 0.000 -14.593 0.000) 14.593 9.194 ( 0.000 -2.082 0.000) 2.082 9.392 ( 0.000 8.683 0.000) 8.683 9.410 ( 0.000 2.553 0.000) 2.553 9.544 ( 0.000 -33.868 0.000) 33.868 9.640 ( 0.000 -31.809 0.000) 31.809 10.313 ( 0.000 -11.684 0.000) 11.684 10.323 ( 0.000 -3.931 0.000) 3.931 10.379 ( 0.000 -3.001 0.000) 3.001 10.465 ( 0.000 8.761 0.000) 8.761 10.525 ( 0.000 -8.078 0.000) 8.078 10.684 ( 0.000 9.049 0.000) 9.049 11.167 ( 0.000 0.478 0.000) 0.478 11.351 ( 0.000 3.396 0.000) 3.396 11.401 ( 0.000 11.783 0.000) 11.783 11.768 ( 0.000 -7.975 0.000) 7.975 11.964 ( 0.000 10.419 0.000) 10.419 12.335 ( 0.000 8.051 0.000) 8.051 12.876 ( 0.000 -4.055 0.000) 4.055 12.962 ( 0.000 -20.017 0.000) 20.017 13.040 ( 0.000 -11.791 0.000) 11.791 13.178 ( 0.000 -3.336 0.000) 3.336 14.029 ( 0.000 4.856 0.000) 4.856 14.663 ( 0.000 5.612 0.000) 5.612 14.746 ( 0.000 3.106 0.000) 3.106 14.884 ( 0.000 -2.266 0.000) 2.266 14.906 ( 0.000 -5.929 0.000) 5.929 15.004 ( 0.000 -10.637 0.000) 10.637 15.383 ( 0.000 10.835 0.000) 10.835 15.545 ( 0.000 5.756 0.000) 5.756 17.466 ( 0.000 -6.466 0.000) 6.466 17.539 ( 0.000 -6.639 0.000) 6.639 17.578 ( 0.000 10.127 0.000) 10.127 17.618 ( 0.000 10.693 0.000) 10.693 18.232 ( 0.000 -12.717 0.000) 12.717 18.264 ( 0.000 -21.688 0.000) 21.688 18.584 ( 0.000 -16.374 0.000) 16.374 18.697 ( 0.000 -10.229 0.000) 10.229 20.177 ( 0.000 -20.068 0.000) 20.068 20.429 ( 0.000 -17.905 0.000) 17.905 20.650 ( 0.000 -18.416 0.000) 18.416 20.719 ( 0.000 -20.129 0.000) 20.129 23.697 ( 0.000 21.600 0.000) 21.600 23.777 ( 0.000 19.634 0.000) 19.634 23.781 ( 0.000 21.659 0.000) 21.659 23.996 ( 0.000 15.030 0.000) 15.030 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 4.502 27.797 0.000) 28.159 2.602 ( 2.102 23.840 0.000) 23.932 2.772 ( -0.637 18.940 0.000) 18.951 2.890 ( -2.894 16.880 0.000) 17.126 3.030 ( -9.298 9.198 0.000) 13.079 3.120 ( -4.767 15.071 0.000) 15.807 3.210 ( -0.922 12.403 0.000) 12.437 3.377 ( -8.314 6.117 0.000) 10.322 3.614 ( -1.535 17.226 0.000) 17.294 3.674 ( -2.166 20.889 0.000) 21.001 3.806 ( 2.749 17.222 0.000) 17.440 3.860 ( -3.683 9.709 0.000) 10.384 4.007 ( 15.232 5.414 0.000) 16.166 4.075 ( 7.983 13.771 0.000) 15.918 4.127 ( 7.833 5.973 0.000) 9.850 4.319 ( 6.115 5.247 0.000) 8.057 4.344 ( 0.384 20.072 0.000) 20.075 4.491 ( -2.757 -4.556 0.000) 5.325 4.649 ( -1.126 -0.389 0.000) 1.191 4.657 ( -4.876 3.140 0.000) 5.800 5.201 ( -4.655 9.005 0.000) 10.137 5.226 ( -1.893 -0.232 0.000) 1.908 5.432 ( 4.252 8.680 0.000) 9.665 5.456 ( 2.150 8.770 0.000) 9.029 5.508 ( 0.029 20.304 0.000) 20.304 5.701 ( -7.336 5.491 0.000) 9.163 5.899 ( -0.504 6.553 0.000) 6.573 5.936 ( -1.067 9.889 0.000) 9.946 5.994 ( 0.450 3.105 0.000) 3.137 6.040 ( -0.856 4.975 0.000) 5.048 6.107 ( 5.861 6.744 0.000) 8.934 6.245 ( 3.141 1.912 0.000) 3.677 6.430 ( 6.100 12.853 0.000) 14.227 6.583 ( 0.579 10.630 0.000) 10.646 6.654 ( -3.819 16.986 0.000) 17.410 6.779 ( 0.534 -6.081 0.000) 6.105 6.918 ( -4.166 1.128 0.000) 4.317 6.998 ( -6.169 5.516 0.000) 8.275 7.000 ( 5.925 7.088 0.000) 9.239 7.232 ( -0.392 -9.563 0.000) 9.571 7.631 ( 0.235 0.397 0.000) 0.461 7.946 ( 10.484 3.206 0.000) 10.963 7.975 ( -5.819 3.385 0.000) 6.731 8.176 ( -3.420 -2.874 0.000) 4.467 8.228 ( -4.186 4.447 0.000) 6.108 8.386 ( 2.750 3.378 0.000) 4.356 8.550 ( -11.241 1.483 0.000) 11.338 8.617 ( -4.399 -8.073 0.000) 9.194 8.864 ( -0.741 -1.583 0.000) 1.748 8.892 ( 4.684 4.048 0.000) 6.191 9.138 ( 11.218 -8.162 0.000) 13.873 9.355 ( 13.135 -2.057 0.000) 13.295 9.418 ( 4.413 9.430 0.000) 10.411 9.505 ( 5.153 -9.322 0.000) 10.652 9.569 ( 6.095 -22.584 0.000) 23.392 9.639 ( -0.032 -31.481 0.000) 31.481 10.078 ( -12.641 -7.104 0.000) 14.501 10.291 ( -7.700 -0.895 0.000) 7.752 10.419 ( -6.281 -2.760 0.000) 6.861 10.503 ( -0.662 7.823 0.000) 7.851 10.567 ( 10.250 -11.200 0.000) 15.182 10.632 ( -2.115 7.343 0.000) 7.641 11.091 ( -6.882 3.420 0.000) 7.684 11.253 ( -9.180 3.706 0.000) 9.900 11.479 ( 6.606 6.917 0.000) 9.565 11.765 ( -0.585 -6.541 0.000) 6.567 12.012 ( 3.569 4.303 0.000) 5.590 12.266 ( -6.203 6.822 0.000) 9.221 12.760 ( -5.562 -1.923 0.000) 5.885 12.937 ( -2.830 -17.684 0.000) 17.909 13.163 ( 7.142 -10.127 0.000) 12.392 13.214 ( 3.018 -3.401 0.000) 4.547 14.072 ( 4.554 4.621 0.000) 6.488 14.643 ( -6.541 -2.379 0.000) 6.960 14.726 ( -6.170 9.651 0.000) 11.454 14.739 ( -0.350 2.718 0.000) 2.740 14.954 ( 4.393 -6.196 0.000) 7.595 15.087 ( 3.504 -12.822 0.000) 13.292 15.413 ( 2.619 10.087 0.000) 10.421 15.534 ( -1.146 6.172 0.000) 6.278 17.460 ( -0.380 -5.289 0.000) 5.302 17.519 ( -1.692 -4.416 0.000) 4.730 17.592 ( 1.114 7.720 0.000) 7.800 17.625 ( 0.486 9.175 0.000) 9.188 18.244 ( 1.245 -13.902 0.000) 13.958 18.275 ( 0.917 -21.264 0.000) 21.284 18.579 ( -0.323 -15.401 0.000) 15.404 18.672 ( -2.407 -10.575 0.000) 10.845 20.214 ( 3.819 -19.536 0.000) 19.906 20.451 ( 2.363 -17.859 0.000) 18.015 20.593 ( -5.606 -18.403 0.000) 19.238 20.689 ( -3.152 -19.470 0.000) 19.724 23.730 ( 3.233 20.777 0.000) 21.027 23.785 ( 0.842 19.697 0.000) 19.715 23.786 ( 0.437 21.282 0.000) 21.287 23.974 ( -2.306 15.554 0.000) 15.724 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 6.908 21.938 0.000) 23.000 2.643 ( -0.146 20.405 0.000) 20.406 2.737 ( -7.572 15.720 0.000) 17.449 2.742 ( -2.495 18.054 0.000) 18.226 2.969 ( 1.547 14.259 0.000) 14.343 3.028 ( -4.311 14.717 0.000) 15.335 3.207 ( 1.207 13.863 0.000) 13.916 3.262 ( -4.485 11.154 0.000) 12.022 3.639 ( 3.703 15.224 0.000) 15.668 3.700 ( 2.862 23.633 0.000) 23.806 3.751 ( -5.012 10.629 0.000) 11.752 3.798 ( -3.388 19.917 0.000) 20.203 4.209 ( 5.910 9.266 0.000) 10.990 4.217 ( 5.133 3.656 0.000) 6.302 4.311 ( 10.433 3.281 0.000) 10.936 4.358 ( 1.546 19.181 0.000) 19.244 4.411 ( -3.267 3.573 0.000) 4.842 4.471 ( 4.448 3.823 0.000) 5.865 4.523 ( -7.060 0.658 0.000) 7.091 4.598 ( -4.455 3.209 0.000) 5.491 5.169 ( 0.983 2.715 0.000) 2.888 5.196 ( -1.331 -1.090 0.000) 1.720 5.487 ( 1.773 20.534 0.000) 20.610 5.490 ( 1.888 8.610 0.000) 8.815 5.516 ( 0.336 5.232 0.000) 5.243 5.569 ( -5.879 14.117 0.000) 15.293 5.860 ( -1.866 9.477 0.000) 9.659 5.867 ( -2.759 7.872 0.000) 8.341 6.045 ( 3.237 -1.297 0.000) 3.487 6.073 ( 0.865 2.563 0.000) 2.705 6.230 ( 5.623 4.643 0.000) 7.292 6.284 ( 0.116 6.154 0.000) 6.155 6.481 ( 2.003 15.475 0.000) 15.604 6.558 ( -5.562 14.549 0.000) 15.576 6.686 ( 8.273 8.488 0.000) 11.853 6.797 ( 1.511 -5.814 0.000) 6.007 6.841 ( -3.622 -2.543 0.000) 4.425 6.851 ( -8.431 6.433 0.000) 10.605 7.117 ( 5.761 3.790 0.000) 6.896 7.202 ( -3.027 -1.552 0.000) 3.402 7.693 ( 5.885 2.940 0.000) 6.578 7.834 ( -8.259 3.807 0.000) 9.094 8.120 ( 1.914 -1.195 0.000) 2.256 8.152 ( -3.118 5.411 0.000) 6.245 8.161 ( 7.745 5.894 0.000) 9.732 8.340 ( -9.431 3.277 0.000) 9.984 8.467 ( 3.776 -6.666 0.000) 7.661 8.542 ( -3.823 -11.254 0.000) 11.886 8.859 ( 1.057 -0.534 0.000) 1.184 8.900 ( -2.442 3.819 0.000) 4.533 9.362 ( 10.853 -9.168 0.000) 14.207 9.498 ( -2.633 -18.642 0.000) 18.827 9.565 ( 7.042 2.729 0.000) 7.552 9.592 ( 7.726 0.940 0.000) 7.783 9.652 ( 3.447 -28.741 0.000) 28.947 9.748 ( 1.766 -13.598 0.000) 13.712 9.915 ( 2.468 -2.215 0.000) 3.316 10.104 ( -11.489 -0.404 0.000) 11.496 10.283 ( -4.376 2.228 0.000) 4.910 10.355 ( -10.120 7.156 0.000) 12.394 10.717 ( 8.016 4.563 0.000) 9.223 10.771 ( 8.988 -8.637 0.000) 12.465 10.941 ( -6.741 6.020 0.000) 9.038 11.046 ( -11.661 0.610 0.000) 11.677 11.613 ( 7.030 1.073 0.000) 7.111 11.725 ( -4.140 -3.326 0.000) 5.310 12.067 ( 2.771 -0.639 0.000) 2.844 12.145 ( -5.637 3.245 0.000) 6.505 12.749 ( 3.945 -1.817 0.000) 4.344 12.854 ( -5.694 -10.439 0.000) 11.891 13.254 ( 2.405 -7.337 0.000) 7.722 13.261 ( 1.382 -4.518 0.000) 4.724 14.201 ( 8.992 4.212 0.000) 9.930 14.411 ( -12.883 2.494 0.000) 13.122 14.719 ( 1.123 6.631 0.000) 6.726 14.734 ( -0.365 3.600 0.000) 3.618 15.046 ( 4.639 -8.714 0.000) 9.872 15.107 ( -1.324 -12.124 0.000) 12.196 15.462 ( 2.376 8.875 0.000) 9.187 15.504 ( -1.968 7.392 0.000) 7.650 17.461 ( 0.697 -4.265 0.000) 4.321 17.485 ( -1.697 -4.051 0.000) 4.392 17.613 ( 1.026 7.153 0.000) 7.226 17.627 ( -0.334 7.583 0.000) 7.591 18.273 ( 1.456 -16.931 0.000) 16.993 18.288 ( 0.088 -19.867 0.000) 19.867 18.582 ( 0.931 -13.156 0.000) 13.189 18.619 ( -2.786 -11.465 0.000) 11.798 20.317 ( 6.805 -18.637 0.000) 19.841 20.460 ( -7.795 -18.272 0.000) 19.866 20.517 ( 4.378 -17.929 0.000) 18.456 20.609 ( -4.962 -18.483 0.000) 19.138 23.786 ( 1.233 19.743 0.000) 19.781 23.793 ( 0.120 20.474 0.000) 20.474 23.825 ( 4.197 19.120 0.000) 19.575 23.911 ( -4.212 17.024 0.000) 17.537 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 0.000 27.318 0.000) 27.318 3.005 ( 0.000 18.875 0.000) 18.875 3.133 ( 0.000 16.392 0.000) 16.392 3.264 ( 0.000 18.147 0.000) 18.147 3.319 ( 0.000 8.731 0.000) 8.731 3.439 ( 0.000 12.627 0.000) 12.627 3.478 ( 0.000 15.376 0.000) 15.376 3.538 ( 0.000 -3.392 0.000) 3.392 3.758 ( 0.000 2.667 0.000) 2.667 3.993 ( 0.000 7.119 0.000) 7.119 3.993 ( 0.000 8.669 0.000) 8.669 4.006 ( 0.000 10.513 0.000) 10.513 4.033 ( 0.000 15.752 0.000) 15.752 4.101 ( 0.000 3.914 0.000) 3.914 4.350 ( 0.000 -1.155 0.000) 1.155 4.384 ( 0.000 9.262 0.000) 9.262 4.431 ( 0.000 1.240 0.000) 1.240 4.602 ( 0.000 -2.641 0.000) 2.641 4.669 ( 0.000 16.080 0.000) 16.080 4.752 ( 0.000 0.413 0.000) 0.413 5.189 ( 0.000 -4.694 0.000) 4.694 5.287 ( 0.000 -4.754 0.000) 4.754 5.512 ( 0.000 -9.340 0.000) 9.340 5.592 ( 0.000 8.086 0.000) 8.086 5.684 ( 0.000 8.148 0.000) 8.148 5.810 ( 0.000 -1.961 0.000) 1.961 5.872 ( 0.000 9.122 0.000) 9.122 6.003 ( 0.000 4.421 0.000) 4.421 6.105 ( 0.000 -2.018 0.000) 2.018 6.153 ( 0.000 5.380 0.000) 5.380 6.337 ( 0.000 14.093 0.000) 14.093 6.350 ( 0.000 0.648 0.000) 0.648 6.615 ( 0.000 19.347 0.000) 19.347 6.693 ( 0.000 -12.894 0.000) 12.894 6.770 ( 0.000 12.122 0.000) 12.122 6.905 ( 0.000 -14.364 0.000) 14.364 6.913 ( 0.000 14.154 0.000) 14.154 7.115 ( 0.000 9.303 0.000) 9.303 7.198 ( 0.000 15.184 0.000) 15.184 7.275 ( 0.000 12.398 0.000) 12.398 7.705 ( 0.000 7.708 0.000) 7.708 7.993 ( 0.000 9.482 0.000) 9.482 8.034 ( 0.000 -14.627 0.000) 14.627 8.058 ( 0.000 -1.447 0.000) 1.447 8.103 ( 0.000 -0.105 0.000) 0.105 8.642 ( 0.000 13.389 0.000) 13.389 8.722 ( 0.000 -2.475 0.000) 2.475 8.805 ( 0.000 0.629 0.000) 0.629 8.826 ( 0.000 -3.543 0.000) 3.543 8.831 ( 0.000 5.665 0.000) 5.665 8.881 ( 0.000 -31.939 0.000) 31.939 8.897 ( 0.000 2.124 0.000) 2.124 8.996 ( 0.000 -25.065 0.000) 25.065 9.260 ( 0.000 1.010 0.000) 1.010 9.466 ( 0.000 3.523 0.000) 3.523 9.519 ( 0.000 1.935 0.000) 1.935 10.125 ( 0.000 -6.323 0.000) 6.323 10.252 ( 0.000 -5.020 0.000) 5.020 10.347 ( 0.000 -0.568 0.000) 0.568 10.458 ( 0.000 2.383 0.000) 2.383 10.559 ( 0.000 0.847 0.000) 0.847 10.871 ( 0.000 9.803 0.000) 9.803 11.141 ( 0.000 -3.767 0.000) 3.767 11.448 ( 0.000 6.081 0.000) 6.081 11.613 ( 0.000 -7.361 0.000) 7.361 11.616 ( 0.000 10.419 0.000) 10.419 12.097 ( 0.000 2.433 0.000) 2.433 12.504 ( 0.000 9.030 0.000) 9.030 12.583 ( 0.000 -18.508 0.000) 18.508 12.777 ( 0.000 -5.681 0.000) 5.681 12.828 ( 0.000 -9.384 0.000) 9.384 13.087 ( 0.000 -6.088 0.000) 6.088 14.090 ( 0.000 2.575 0.000) 2.575 14.623 ( 0.000 -6.271 0.000) 6.271 14.742 ( 0.000 -10.085 0.000) 10.085 14.771 ( 0.000 -11.831 0.000) 11.831 14.915 ( 0.000 13.309 0.000) 13.309 15.019 ( 0.000 12.857 0.000) 12.857 15.558 ( 0.000 6.067 0.000) 6.067 15.632 ( 0.000 2.268 0.000) 2.268 17.385 ( 0.000 -1.766 0.000) 1.766 17.490 ( 0.000 0.522 0.000) 0.522 17.762 ( 0.000 8.190 0.000) 8.190 17.805 ( 0.000 6.838 0.000) 6.838 17.905 ( 0.000 -14.808 0.000) 14.808 17.993 ( 0.000 -9.939 0.000) 9.939 18.299 ( 0.000 -12.664 0.000) 12.664 18.516 ( 0.000 -8.684 0.000) 8.684 19.852 ( 0.000 -13.401 0.000) 13.401 20.088 ( 0.000 -16.723 0.000) 16.723 20.302 ( 0.000 -16.880 0.000) 16.880 20.342 ( 0.000 -18.158 0.000) 18.158 24.050 ( 0.000 14.751 0.000) 14.751 24.092 ( 0.000 12.948 0.000) 12.948 24.134 ( 0.000 14.682 0.000) 14.682 24.241 ( 0.000 10.232 0.000) 10.232 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 0.600 25.822 0.000) 25.829 3.006 ( 0.188 17.968 0.000) 17.969 3.120 ( -1.461 16.718 0.000) 16.781 3.167 ( -9.983 9.845 0.000) 14.021 3.262 ( -1.060 15.750 0.000) 15.786 3.379 ( -4.707 12.558 0.000) 13.411 3.493 ( 0.565 15.644 0.000) 15.654 3.514 ( -0.825 8.173 0.000) 8.215 3.893 ( 2.093 7.867 0.000) 8.141 3.990 ( 8.083 3.836 0.000) 8.947 3.994 ( -0.595 10.964 0.000) 10.981 4.002 ( 0.719 6.182 0.000) 6.224 4.165 ( 9.808 11.716 0.000) 15.279 4.178 ( 6.466 2.646 0.000) 6.986 4.327 ( -3.169 8.720 0.000) 9.278 4.357 ( 0.909 -3.608 0.000) 3.721 4.437 ( 0.927 2.508 0.000) 2.674 4.575 ( -1.888 0.370 0.000) 1.924 4.694 ( -5.670 0.407 0.000) 5.685 4.731 ( 3.436 11.012 0.000) 11.536 5.150 ( -3.900 -5.638 0.000) 6.855 5.238 ( -4.807 -3.984 0.000) 6.243 5.512 ( 0.194 -4.256 0.000) 4.260 5.591 ( -0.437 5.524 0.000) 5.542 5.698 ( 1.785 4.632 0.000) 4.964 5.843 ( -1.425 7.348 0.000) 7.485 5.867 ( 5.125 1.042 0.000) 5.230 6.063 ( 4.852 0.672 0.000) 4.898 6.070 ( -3.122 1.885 0.000) 3.647 6.147 ( -0.469 6.369 0.000) 6.386 6.277 ( -5.826 6.514 0.000) 8.739 6.380 ( 2.715 10.682 0.000) 11.022 6.628 ( 0.683 7.873 0.000) 7.902 6.681 ( -0.485 -11.750 0.000) 11.760 6.816 ( 3.162 14.281 0.000) 14.627 6.828 ( -6.235 -8.352 0.000) 10.423 6.892 ( -0.231 15.538 0.000) 15.539 7.177 ( 5.336 9.689 0.000) 11.061 7.229 ( -2.732 15.289 0.000) 15.531 7.261 ( 2.784 10.126 0.000) 10.502 7.713 ( 1.339 7.626 0.000) 7.743 7.968 ( -4.785 -7.407 0.000) 8.818 8.015 ( 1.741 3.019 0.000) 3.485 8.088 ( 0.907 -6.557 0.000) 6.619 8.149 ( 4.922 3.877 0.000) 6.266 8.578 ( -5.980 9.804 0.000) 11.483 8.585 ( -7.332 1.436 0.000) 7.471 8.612 ( -9.427 3.880 0.000) 10.194 8.866 ( -0.530 -1.478 0.000) 1.570 8.881 ( 0.662 -27.437 0.000) 27.445 8.960 ( 1.291 -18.105 0.000) 18.151 8.969 ( 5.464 -2.922 0.000) 6.196 9.108 ( 12.121 -8.859 0.000) 15.013 9.383 ( 10.986 1.587 0.000) 11.100 9.537 ( 5.611 1.092 0.000) 5.717 9.568 ( 6.110 3.651 0.000) 7.118 10.012 ( -7.049 0.564 0.000) 7.071 10.283 ( -5.791 0.090 0.000) 5.792 10.332 ( 2.128 -9.587 0.000) 9.820 10.457 ( 3.492 3.318 0.000) 4.817 10.611 ( 3.739 1.976 0.000) 4.229 10.783 ( -8.342 8.649 0.000) 12.016 11.109 ( -3.464 -2.220 0.000) 4.114 11.346 ( -10.497 5.032 0.000) 11.640 11.620 ( 0.522 7.648 0.000) 7.666 11.635 ( 2.035 -6.065 0.000) 6.398 12.032 ( -4.697 -2.292 0.000) 5.226 12.358 ( -10.586 -1.085 0.000) 10.641 12.652 ( 3.400 -7.595 0.000) 8.321 12.726 ( -1.219 -1.537 0.000) 1.962 12.966 ( 8.755 -9.607 0.000) 12.998 13.119 ( 2.566 -6.380 0.000) 6.877 14.129 ( 4.062 2.255 0.000) 4.646 14.555 ( -6.556 -5.203 0.000) 8.370 14.749 ( 0.798 -8.797 0.000) 8.833 14.781 ( 0.616 -9.789 0.000) 9.808 14.937 ( 2.070 11.491 0.000) 11.676 15.019 ( -0.124 11.334 0.000) 11.334 15.571 ( 1.138 5.339 0.000) 5.459 15.627 ( -0.473 2.523 0.000) 2.567 17.389 ( 0.431 -1.447 0.000) 1.510 17.472 ( -1.683 0.239 0.000) 1.700 17.769 ( 0.666 8.191 0.000) 8.218 17.804 ( -0.137 6.988 0.000) 6.989 17.920 ( 1.390 -14.753 0.000) 14.819 17.987 ( -0.640 -10.803 0.000) 10.822 18.312 ( 1.422 -11.871 0.000) 11.956 18.488 ( -2.738 -8.664 0.000) 9.087 19.890 ( 3.929 -13.659 0.000) 14.212 20.111 ( 2.381 -16.719 0.000) 16.888 20.248 ( -5.119 -16.504 0.000) 17.279 20.322 ( -2.370 -17.826 0.000) 17.983 24.069 ( 1.835 14.154 0.000) 14.273 24.103 ( 1.138 13.106 0.000) 13.155 24.133 ( -0.180 14.414 0.000) 14.416 24.228 ( -1.394 10.597 0.000) 10.688 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 0.833 21.641 0.000) 21.657 2.996 ( -3.174 16.644 0.000) 16.944 3.042 ( -0.281 15.570 0.000) 15.573 3.079 ( -2.646 17.073 0.000) 17.277 3.261 ( 0.921 14.897 0.000) 14.925 3.299 ( -3.155 12.890 0.000) 13.270 3.499 ( 0.157 15.629 0.000) 15.630 3.503 ( -0.404 13.314 0.000) 13.321 3.898 ( 0.864 11.470 0.000) 11.503 3.940 ( -3.401 8.254 0.000) 8.927 4.058 ( 3.650 11.498 0.000) 12.064 4.098 ( 0.803 7.300 0.000) 7.344 4.282 ( 2.662 2.547 0.000) 3.684 4.304 ( 1.167 2.994 0.000) 3.213 4.357 ( 7.279 2.275 0.000) 7.627 4.435 ( 5.795 -1.733 0.000) 6.048 4.485 ( 2.719 -1.184 0.000) 2.965 4.528 ( -3.169 0.951 0.000) 3.308 4.580 ( -1.359 5.976 0.000) 6.128 4.721 ( -6.066 8.240 0.000) 10.232 5.085 ( -0.912 -8.064 0.000) 8.115 5.134 ( -5.092 -5.151 0.000) 7.243 5.529 ( 1.622 0.182 0.000) 1.632 5.566 ( -1.964 1.940 0.000) 2.761 5.755 ( 4.058 3.116 0.000) 5.116 5.821 ( -1.800 7.376 0.000) 7.592 5.982 ( 4.550 5.590 0.000) 7.207 6.029 ( 1.852 1.596 0.000) 2.445 6.051 ( -4.275 5.489 0.000) 6.958 6.132 ( -5.420 3.825 0.000) 6.634 6.268 ( 7.115 4.283 0.000) 8.304 6.382 ( -3.254 5.189 0.000) 6.125 6.639 ( 0.773 -1.435 0.000) 1.630 6.670 ( -2.022 -11.183 0.000) 11.364 6.753 ( 0.486 5.353 0.000) 5.375 6.800 ( -2.985 9.218 0.000) 9.689 6.982 ( 7.351 19.225 0.000) 20.582 7.123 ( -7.050 17.560 0.000) 18.923 7.275 ( 4.082 9.727 0.000) 10.549 7.310 ( 0.658 9.192 0.000) 9.215 7.767 ( 4.318 4.144 0.000) 5.985 7.866 ( -5.694 -1.987 0.000) 6.031 8.050 ( 1.959 -2.515 0.000) 3.188 8.084 ( -1.227 -5.411 0.000) 5.548 8.274 ( 7.666 5.821 0.000) 9.626 8.430 ( -8.664 5.444 0.000) 10.233 8.491 ( -2.449 3.535 0.000) 4.300 8.495 ( -2.933 6.516 0.000) 7.146 8.884 ( 1.640 -6.851 0.000) 7.044 8.894 ( 0.537 -24.396 0.000) 24.402 8.961 ( 0.173 -19.450 0.000) 19.450 8.990 ( -1.964 -5.156 0.000) 5.517 9.354 ( 12.778 -4.777 0.000) 13.642 9.556 ( -6.474 -4.586 0.000) 7.934 9.603 ( 10.249 0.766 0.000) 10.278 9.688 ( 2.824 2.289 0.000) 3.636 9.990 ( 6.203 7.349 0.000) 9.617 10.148 ( -8.334 3.001 0.000) 8.858 10.332 ( 3.002 1.754 0.000) 3.477 10.509 ( -13.024 9.354 0.000) 16.035 10.632 ( 11.701 -4.769 0.000) 12.636 10.738 ( 2.134 -2.672 0.000) 3.420 11.024 ( -4.049 1.558 0.000) 4.339 11.096 ( -12.850 3.422 0.000) 13.298 11.639 ( 1.374 1.951 0.000) 2.386 11.659 ( -0.167 -2.980 0.000) 2.985 12.011 ( 3.732 -5.037 0.000) 6.269 12.154 ( -10.143 -3.717 0.000) 10.802 12.699 ( 1.681 -3.509 0.000) 3.891 12.717 ( -0.357 -0.781 0.000) 0.858 13.103 ( 5.060 -8.067 0.000) 9.523 13.150 ( -0.000 -7.003 0.000) 7.003 14.241 ( 7.539 1.008 0.000) 7.606 14.402 ( -8.881 -1.785 0.000) 9.059 14.769 ( 1.122 -7.517 0.000) 7.600 14.784 ( -0.340 -7.793 0.000) 7.801 14.980 ( 2.107 9.196 0.000) 9.435 15.010 ( -0.953 9.157 0.000) 9.207 15.594 ( 1.214 4.137 0.000) 4.311 15.614 ( -0.879 3.194 0.000) 3.313 17.404 ( 1.232 -0.816 0.000) 1.478 17.435 ( -1.950 -0.259 0.000) 1.967 17.784 ( 0.870 8.011 0.000) 8.058 17.798 ( -0.550 7.498 0.000) 7.518 17.948 ( 1.408 -14.327 0.000) 14.396 17.971 ( -0.994 -12.797 0.000) 12.836 18.354 ( 3.055 -10.172 0.000) 10.621 18.422 ( -3.851 -8.970 0.000) 9.762 19.993 ( 6.599 -14.387 0.000) 15.828 20.127 ( -7.174 -15.456 0.000) 17.040 20.174 ( 4.096 -16.853 0.000) 17.343 20.256 ( -4.255 -17.280 0.000) 17.796 24.105 ( 1.505 13.325 0.000) 13.410 24.125 ( -0.678 13.798 0.000) 13.815 24.138 ( 2.584 12.966 0.000) 13.221 24.190 ( -2.554 11.637 0.000) 11.914 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 0.000 10.458 0.000) 10.458 3.367 ( 0.000 15.000 0.000) 15.000 3.389 ( 0.000 9.694 0.000) 9.694 3.458 ( 0.000 6.246 0.000) 6.246 3.466 ( 0.000 -3.018 0.000) 3.018 3.553 ( 0.000 8.711 0.000) 8.711 3.721 ( 0.000 17.300 0.000) 17.300 3.752 ( 0.000 12.082 0.000) 12.082 3.844 ( 0.000 6.882 0.000) 6.882 4.006 ( 0.000 -2.196 0.000) 2.196 4.108 ( 0.000 0.774 0.000) 0.774 4.184 ( 0.000 7.657 0.000) 7.657 4.221 ( 0.000 6.931 0.000) 6.931 4.277 ( 0.000 0.347 0.000) 0.347 4.317 ( 0.000 13.055 0.000) 13.055 4.385 ( 0.000 -7.883 0.000) 7.883 4.526 ( 0.000 3.893 0.000) 3.893 4.572 ( 0.000 -0.325 0.000) 0.325 4.688 ( 0.000 -7.779 0.000) 7.779 4.788 ( 0.000 -6.392 0.000) 6.392 5.171 ( 0.000 -5.163 0.000) 5.163 5.249 ( 0.000 14.275 0.000) 14.275 5.283 ( 0.000 -10.731 0.000) 10.731 5.659 ( 0.000 -0.989 0.000) 0.989 5.799 ( 0.000 -0.345 0.000) 0.345 5.902 ( 0.000 11.292 0.000) 11.292 5.926 ( 0.000 -0.755 0.000) 0.755 6.064 ( 0.000 2.499 0.000) 2.499 6.094 ( 0.000 -2.505 0.000) 2.505 6.241 ( 0.000 2.292 0.000) 2.292 6.297 ( 0.000 -3.590 0.000) 3.590 6.341 ( 0.000 -12.211 0.000) 12.211 6.628 ( 0.000 7.237 0.000) 7.237 6.736 ( 0.000 -2.252 0.000) 2.252 6.966 ( 0.000 15.771 0.000) 15.771 7.029 ( 0.000 11.702 0.000) 11.702 7.159 ( 0.000 10.370 0.000) 10.370 7.250 ( 0.000 3.979 0.000) 3.979 7.441 ( 0.000 10.408 0.000) 10.408 7.494 ( 0.000 9.077 0.000) 9.077 7.797 ( 0.000 -9.117 0.000) 9.117 7.823 ( 0.000 3.822 0.000) 3.822 7.940 ( 0.000 -10.981 0.000) 10.981 8.140 ( 0.000 1.394 0.000) 1.394 8.247 ( 0.000 11.902 0.000) 11.902 8.358 ( 0.000 -16.953 0.000) 16.953 8.606 ( 0.000 -10.009 0.000) 10.009 8.661 ( 0.000 -2.505 0.000) 2.505 8.685 ( 0.000 -7.213 0.000) 7.213 8.818 ( 0.000 3.686 0.000) 3.686 8.837 ( 0.000 0.963 0.000) 0.963 8.883 ( 0.000 -2.380 0.000) 2.380 9.063 ( 0.000 11.787 0.000) 11.787 9.308 ( 0.000 1.147 0.000) 1.147 9.492 ( 0.000 -2.127 0.000) 2.127 9.520 ( 0.000 1.054 0.000) 1.054 10.087 ( 0.000 1.246 0.000) 1.246 10.164 ( 0.000 -3.167 0.000) 3.167 10.354 ( 0.000 1.409 0.000) 1.409 10.511 ( 0.000 -4.975 0.000) 4.975 10.575 ( 0.000 8.804 0.000) 8.804 11.007 ( 0.000 -10.010 0.000) 10.010 11.062 ( 0.000 10.026 0.000) 10.026 11.424 ( 0.000 -7.992 0.000) 7.992 11.643 ( 0.000 9.592 0.000) 9.592 11.813 ( 0.000 10.253 0.000) 10.253 12.044 ( 0.000 -7.411 0.000) 7.411 12.264 ( 0.000 -14.317 0.000) 14.317 12.670 ( 0.000 8.034 0.000) 8.034 12.680 ( 0.000 -3.736 0.000) 3.736 12.694 ( 0.000 -4.543 0.000) 4.543 12.955 ( 0.000 -7.236 0.000) 7.236 14.173 ( 0.000 6.484 0.000) 6.484 14.516 ( 0.000 -4.003 0.000) 4.003 14.538 ( 0.000 -10.776 0.000) 10.776 14.578 ( 0.000 -7.616 0.000) 7.616 15.202 ( 0.000 15.088 0.000) 15.088 15.281 ( 0.000 13.216 0.000) 13.216 15.602 ( 0.000 -1.608 0.000) 1.608 15.613 ( 0.000 -4.417 0.000) 4.417 17.399 ( 0.000 3.246 0.000) 3.246 17.519 ( 0.000 1.671 0.000) 1.671 17.661 ( 0.000 -8.526 0.000) 8.526 17.700 ( 0.000 -11.094 0.000) 11.094 17.923 ( 0.000 6.447 0.000) 6.447 18.041 ( 0.000 8.575 0.000) 8.575 18.112 ( 0.000 -6.569 0.000) 6.569 18.357 ( 0.000 -7.878 0.000) 7.878 19.669 ( 0.000 -5.232 0.000) 5.232 19.808 ( 0.000 -11.698 0.000) 11.698 20.030 ( 0.000 -10.473 0.000) 10.473 20.048 ( 0.000 -11.474 0.000) 11.474 24.264 ( 0.000 7.374 0.000) 7.374 24.278 ( 0.000 6.367 0.000) 6.367 24.348 ( 0.000 7.530 0.000) 7.530 24.389 ( 0.000 4.951 0.000) 4.951 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( -0.371 10.548 0.000) 10.554 3.338 ( -4.113 8.930 0.000) 9.831 3.345 ( -1.887 13.439 0.000) 13.571 3.412 ( 1.794 12.158 0.000) 12.289 3.521 ( -1.328 8.469 0.000) 8.572 3.632 ( -6.988 15.097 0.000) 16.636 3.636 ( 7.099 1.363 0.000) 7.229 3.781 ( 1.067 13.633 0.000) 13.674 3.904 ( 5.914 2.502 0.000) 6.421 4.016 ( 0.729 -1.922 0.000) 2.056 4.137 ( 1.992 3.770 0.000) 4.264 4.196 ( 0.769 7.705 0.000) 7.744 4.245 ( 2.175 4.119 0.000) 4.659 4.262 ( -0.800 -1.722 0.000) 1.899 4.342 ( -2.847 -7.008 0.000) 7.564 4.362 ( 4.393 10.033 0.000) 10.953 4.505 ( -2.519 0.436 0.000) 2.557 4.563 ( -1.121 -0.399 0.000) 1.190 4.668 ( -0.806 -3.083 0.000) 3.187 4.785 ( -0.004 -7.597 0.000) 7.597 5.139 ( -3.301 -3.594 0.000) 4.880 5.188 ( -6.395 12.292 0.000) 13.856 5.338 ( 5.247 -10.824 0.000) 12.029 5.636 ( -1.855 -1.319 0.000) 2.276 5.805 ( -0.068 -2.051 0.000) 2.052 5.868 ( -2.806 10.644 0.000) 11.008 5.985 ( 5.707 3.752 0.000) 6.830 6.078 ( 1.180 1.285 0.000) 1.745 6.103 ( 0.577 -0.014 0.000) 0.578 6.235 ( -0.457 1.582 0.000) 1.647 6.284 ( -1.468 -2.522 0.000) 2.918 6.350 ( -0.131 -14.298 0.000) 14.298 6.608 ( -1.154 7.173 0.000) 7.266 6.733 ( 1.164 -1.078 0.000) 1.586 6.862 ( -6.797 12.753 0.000) 14.451 7.031 ( -4.346 6.610 0.000) 7.911 7.191 ( 6.175 13.795 0.000) 15.114 7.338 ( 6.320 6.591 0.000) 9.131 7.461 ( 1.518 9.741 0.000) 9.859 7.488 ( -1.074 10.490 0.000) 10.544 7.785 ( -0.770 -7.745 0.000) 7.783 7.821 ( -0.306 2.925 0.000) 2.941 7.962 ( 1.944 -10.299 0.000) 10.481 8.105 ( -2.850 0.682 0.000) 2.931 8.292 ( 3.990 8.501 0.000) 9.391 8.383 ( 2.491 -14.639 0.000) 14.850 8.575 ( -2.998 -8.922 0.000) 9.413 8.606 ( -3.610 0.855 0.000) 3.710 8.635 ( -4.604 -2.267 0.000) 5.132 8.733 ( -6.471 4.913 0.000) 8.124 8.840 ( 0.121 -3.873 0.000) 3.875 8.916 ( 1.243 -6.802 0.000) 6.915 9.173 ( 9.703 9.430 0.000) 13.530 9.413 ( 9.389 -0.047 0.000) 9.390 9.543 ( 4.453 0.827 0.000) 4.529 9.617 ( 7.768 1.116 0.000) 7.848 10.073 ( -0.200 3.931 0.000) 3.936 10.181 ( 2.718 -5.095 0.000) 5.774 10.309 ( -3.817 3.179 0.000) 4.968 10.563 ( 4.291 -6.203 0.000) 7.542 10.573 ( 0.321 8.251 0.000) 8.257 10.975 ( -9.608 10.834 0.000) 14.480 10.993 ( -1.417 -9.570 0.000) 9.674 11.357 ( -9.051 -5.873 0.000) 10.789 11.614 ( -0.515 5.585 0.000) 5.608 11.779 ( -3.243 8.934 0.000) 9.505 11.935 ( -7.204 -7.187 0.000) 10.176 12.184 ( -7.623 -12.071 0.000) 14.276 12.690 ( 1.776 6.681 0.000) 6.913 12.703 ( 2.116 -0.602 0.000) 2.200 12.807 ( 8.681 -6.579 0.000) 10.892 12.979 ( 1.922 -7.721 0.000) 7.957 14.202 ( 3.028 5.853 0.000) 6.590 14.475 ( -3.762 -2.417 0.000) 4.472 14.550 ( 1.172 -10.678 0.000) 10.742 14.589 ( 0.605 -8.379 0.000) 8.401 15.212 ( 0.994 14.781 0.000) 14.814 15.276 ( -0.547 13.309 0.000) 13.320 15.605 ( 0.232 -1.948 0.000) 1.962 15.613 ( -0.009 -4.183 0.000) 4.183 17.406 ( 0.704 3.206 0.000) 3.283 17.499 ( -1.810 1.937 0.000) 2.651 17.670 ( 0.745 -9.046 0.000) 9.076 17.698 ( -0.243 -11.015 0.000) 11.018 17.934 ( 1.109 6.684 0.000) 6.776 18.029 ( -1.195 8.400 0.000) 8.485 18.134 ( 2.318 -6.467 0.000) 6.870 18.333 ( -2.472 -7.587 0.000) 7.979 19.700 ( 3.160 -5.662 0.000) 6.484 19.831 ( 2.349 -11.693 0.000) 11.926 19.987 ( -4.023 -9.724 0.000) 10.523 20.030 ( -2.204 -11.673 0.000) 11.879 24.275 ( 1.117 7.180 0.000) 7.266 24.291 ( 1.263 6.361 0.000) 6.485 24.343 ( -0.550 7.408 0.000) 7.429 24.380 ( -0.864 5.113 0.000) 5.186 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( -0.058 12.655 0.000) 12.655 3.305 ( -1.981 13.506 0.000) 13.651 3.336 ( 4.179 14.512 0.000) 15.102 3.432 ( -1.773 18.561 0.000) 18.645 3.493 ( -1.335 8.023 0.000) 8.133 3.495 ( -4.776 7.425 0.000) 8.829 3.735 ( 3.575 8.102 0.000) 8.856 3.781 ( -1.234 12.403 0.000) 12.464 4.011 ( 3.240 -0.923 0.000) 3.369 4.026 ( 0.342 0.017 0.000) 0.343 4.173 ( 2.486 5.107 0.000) 5.680 4.201 ( -0.163 5.719 0.000) 5.721 4.256 ( 0.184 -5.748 0.000) 5.751 4.271 ( -0.335 -5.499 0.000) 5.510 4.340 ( 2.776 -2.997 0.000) 4.085 4.412 ( -3.381 -1.935 0.000) 3.895 4.473 ( 2.768 2.101 0.000) 3.475 4.526 ( -2.509 0.377 0.000) 2.537 4.707 ( 5.171 1.859 0.000) 5.495 4.788 ( -0.983 -6.422 0.000) 6.497 5.051 ( -5.460 10.506 0.000) 11.840 5.057 ( -4.410 1.459 0.000) 4.645 5.458 ( 6.898 -9.554 0.000) 11.784 5.577 ( -4.890 -5.418 0.000) 7.298 5.802 ( 0.163 1.527 0.000) 1.536 5.820 ( -1.877 7.478 0.000) 7.710 6.097 ( 0.691 2.527 0.000) 2.620 6.100 ( 2.575 4.094 0.000) 4.837 6.112 ( 3.609 4.819 0.000) 6.020 6.208 ( -3.645 1.387 0.000) 3.900 6.265 ( 1.126 -5.396 0.000) 5.513 6.315 ( -3.133 -13.535 0.000) 13.892 6.626 ( 3.706 7.392 0.000) 8.269 6.733 ( -6.669 9.501 0.000) 11.608 6.807 ( 5.858 0.434 0.000) 5.874 6.925 ( -6.174 2.643 0.000) 6.716 7.324 ( 6.869 14.890 0.000) 16.398 7.434 ( -4.435 13.373 0.000) 14.089 7.442 ( 3.969 7.543 0.000) 8.524 7.480 ( -0.244 8.367 0.000) 8.370 7.784 ( 0.762 -4.141 0.000) 4.210 7.807 ( -1.217 0.120 0.000) 1.223 8.003 ( 2.323 -7.856 0.000) 8.192 8.050 ( -2.713 -3.610 0.000) 4.515 8.388 ( 6.030 4.579 0.000) 7.572 8.448 ( 4.125 -10.769 0.000) 11.532 8.502 ( -5.014 -2.868 0.000) 5.776 8.535 ( -5.297 -4.108 0.000) 6.704 8.569 ( 0.075 4.004 0.000) 4.004 8.616 ( -4.839 5.277 0.000) 7.160 8.861 ( 1.999 -7.081 0.000) 7.357 8.904 ( -2.035 -8.594 0.000) 8.832 9.374 ( 10.584 6.062 0.000) 12.197 9.541 ( -5.712 3.332 0.000) 6.613 9.606 ( 9.623 -1.716 0.000) 9.775 9.716 ( -0.128 -0.681 0.000) 0.693 10.120 ( 5.183 6.443 0.000) 8.268 10.226 ( -5.018 6.463 0.000) 8.182 10.346 ( 15.177 -1.063 0.000) 15.214 10.616 ( 4.398 3.961 0.000) 5.918 10.619 ( -2.753 -9.023 0.000) 9.433 10.719 ( -13.143 11.610 0.000) 17.537 10.970 ( 0.431 -7.323 0.000) 7.336 11.105 ( -13.830 -4.143 0.000) 14.438 11.646 ( 2.878 2.623 0.000) 3.894 11.709 ( -3.708 5.594 0.000) 6.712 11.889 ( 3.019 -7.063 0.000) 7.682 12.016 ( -8.980 -8.914 0.000) 12.653 12.724 ( 1.429 4.757 0.000) 4.967 12.733 ( 0.638 2.489 0.000) 2.569 12.948 ( 5.270 -7.801 0.000) 9.414 13.000 ( -0.399 -8.218 0.000) 8.228 14.282 ( 5.146 3.878 0.000) 6.443 14.386 ( -5.392 0.771 0.000) 5.446 14.575 ( 1.282 -10.298 0.000) 10.377 14.592 ( -0.377 -9.503 0.000) 9.510 15.236 ( 1.395 14.138 0.000) 14.206 15.260 ( -1.120 13.601 0.000) 13.647 15.609 ( 0.217 -2.728 0.000) 2.737 15.612 ( -0.085 -3.559 0.000) 3.560 17.427 ( 1.463 3.003 0.000) 3.341 17.460 ( -2.032 2.533 0.000) 3.248 17.683 ( 0.559 -10.040 0.000) 10.056 17.692 ( -0.369 -10.718 0.000) 10.724 17.963 ( 1.820 7.263 0.000) 7.488 17.999 ( -1.871 7.915 0.000) 8.133 18.194 ( 3.814 -6.501 0.000) 7.537 18.270 ( -3.900 -6.964 0.000) 7.981 19.783 ( 5.316 -6.791 0.000) 8.624 19.891 ( -5.721 -8.283 0.000) 10.067 19.892 ( 3.894 -11.713 0.000) 12.344 19.969 ( -3.935 -11.755 0.000) 12.397 24.301 ( 1.475 6.999 0.000) 7.153 24.322 ( 1.877 6.099 0.000) 6.381 24.327 ( -1.137 7.148 0.000) 7.238 24.356 ( -1.621 5.562 0.000) 5.793 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( 0.000 -3.058 0.000) 3.058 3.408 ( 0.000 3.058 0.000) 3.058 3.493 ( 0.000 -0.539 0.000) 0.539 3.493 ( 0.000 0.539 0.000) 0.539 3.581 ( 0.000 -4.665 0.000) 4.665 3.581 ( 0.000 4.665 0.000) 4.665 3.919 ( 0.000 -4.976 0.000) 4.976 3.919 ( 0.000 4.976 0.000) 4.976 4.002 ( 0.000 -8.470 0.000) 8.470 4.002 ( 0.000 8.471 0.000) 8.471 4.099 ( 0.000 -17.104 0.000) 17.104 4.099 ( 0.000 17.105 0.000) 17.105 4.305 ( 0.000 -0.053 0.000) 0.053 4.305 ( 0.000 0.053 0.000) 0.053 4.452 ( 0.000 -11.671 0.000) 11.671 4.452 ( 0.000 11.671 0.000) 11.671 4.517 ( 0.000 -3.613 0.000) 3.613 4.517 ( 0.000 3.613 0.000) 3.613 4.619 ( 0.000 -6.789 0.000) 6.789 4.619 ( 0.000 6.789 0.000) 6.789 5.144 ( 0.000 -2.953 0.000) 2.953 5.144 ( 0.000 2.953 0.000) 2.953 5.562 ( 0.000 -12.746 0.000) 12.746 5.562 ( 0.000 12.746 0.000) 12.746 5.802 ( 0.000 -3.677 0.000) 3.677 5.802 ( 0.000 3.677 0.000) 3.677 6.067 ( 0.000 -4.119 0.000) 4.119 6.067 ( 0.000 4.119 0.000) 4.119 6.151 ( 0.000 -6.912 0.000) 6.912 6.151 ( 0.000 6.912 0.000) 6.912 6.249 ( 0.000 -0.600 0.000) 0.600 6.249 ( 0.000 0.600 0.000) 0.600 6.722 ( 0.000 -1.855 0.000) 1.855 6.722 ( 0.000 1.855 0.000) 1.855 7.155 ( 0.000 -1.001 0.000) 1.001 7.155 ( 0.000 1.001 0.000) 1.001 7.271 ( 0.000 -1.127 0.000) 1.127 7.271 ( 0.000 1.128 0.000) 1.128 7.579 ( 0.000 -1.735 0.000) 1.735 7.579 ( 0.000 1.735 0.000) 1.735 7.741 ( 0.000 -5.307 0.000) 5.307 7.741 ( 0.000 5.308 0.000) 5.308 7.932 ( 0.000 -10.344 0.000) 10.344 7.932 ( 0.000 10.344 0.000) 10.344 8.351 ( 0.000 -2.867 0.000) 2.867 8.351 ( 0.000 2.867 0.000) 2.867 8.567 ( 0.000 -3.710 0.000) 3.710 8.567 ( 0.000 3.710 0.000) 3.710 8.735 ( 0.000 -10.098 0.000) 10.098 8.735 ( 0.000 10.098 0.000) 10.098 8.850 ( 0.000 -0.079 0.000) 0.079 8.850 ( 0.000 0.079 0.000) 0.079 9.257 ( 0.000 -6.846 0.000) 6.846 9.257 ( 0.000 6.846 0.000) 6.846 9.500 ( 0.000 -2.179 0.000) 2.179 9.500 ( 0.000 2.179 0.000) 2.179 10.123 ( 0.000 -1.806 0.000) 1.806 10.123 ( 0.000 1.806 0.000) 1.806 10.410 ( 0.000 -4.471 0.000) 4.471 10.410 ( 0.000 4.472 0.000) 4.472 10.783 ( 0.000 -12.120 0.000) 12.120 10.783 ( 0.000 12.120 0.000) 12.120 11.253 ( 0.000 -9.515 0.000) 9.515 11.253 ( 0.000 9.515 0.000) 9.515 11.852 ( 0.000 -11.264 0.000) 11.264 11.852 ( 0.000 11.264 0.000) 11.264 12.020 ( 0.000 -11.370 0.000) 11.370 12.020 ( 0.000 11.370 0.000) 11.370 12.646 ( 0.000 -0.357 0.000) 0.357 12.646 ( 0.000 0.357 0.000) 0.357 12.816 ( 0.000 -7.199 0.000) 7.199 12.816 ( 0.000 7.199 0.000) 7.199 14.335 ( 0.000 -9.849 0.000) 9.849 14.335 ( 0.000 9.849 0.000) 9.849 14.489 ( 0.000 -1.523 0.000) 1.523 14.489 ( 0.000 1.523 0.000) 1.523 15.461 ( 0.000 -11.091 0.000) 11.091 15.461 ( 0.000 11.091 0.000) 11.091 15.500 ( 0.000 -8.759 0.000) 8.759 15.500 ( 0.000 8.759 0.000) 8.759 17.510 ( 0.000 -8.052 0.000) 8.052 17.510 ( 0.000 8.052 0.000) 8.052 17.555 ( 0.000 -2.902 0.000) 2.902 17.555 ( 0.000 2.903 0.000) 2.903 18.021 ( 0.000 -3.982 0.000) 3.982 18.021 ( 0.000 3.982 0.000) 3.982 18.204 ( 0.000 -8.122 0.000) 8.122 18.204 ( 0.000 8.122 0.000) 8.122 19.655 ( 0.000 -3.746 0.000) 3.746 19.655 ( 0.000 3.746 0.000) 3.746 19.928 ( 0.000 -0.467 0.000) 0.467 19.928 ( 0.000 0.467 0.000) 0.467 24.337 ( 0.000 -0.310 0.000) 0.310 24.337 ( 0.000 0.310 0.000) 0.310 24.428 ( 0.000 -0.935 0.000) 0.935 24.428 ( 0.000 0.936 0.000) 0.936 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 1.643 -3.004 0.000) 3.424 3.427 ( 1.643 3.004 0.000) 3.424 3.496 ( 0.046 -2.565 0.000) 2.566 3.496 ( 0.046 2.565 0.000) 2.566 3.593 ( 1.903 -2.829 0.000) 3.409 3.593 ( 1.903 2.829 0.000) 3.409 3.898 ( -2.897 -7.813 0.000) 8.333 3.898 ( -2.897 7.813 0.000) 8.333 4.038 ( 3.110 -8.640 0.000) 9.182 4.038 ( 3.110 8.640 0.000) 9.182 4.081 ( -0.948 -14.748 0.000) 14.778 4.081 ( -0.948 14.748 0.000) 14.778 4.301 ( -0.465 -1.810 0.000) 1.869 4.301 ( -0.465 1.811 0.000) 1.869 4.395 ( -4.184 -9.374 0.000) 10.265 4.395 ( -4.184 9.374 0.000) 10.265 4.558 ( 2.668 -8.388 0.000) 8.802 4.558 ( 2.668 8.388 0.000) 8.802 4.611 ( -0.368 -6.994 0.000) 7.004 4.611 ( -0.368 6.994 0.000) 7.004 5.163 ( 1.982 -6.027 0.000) 6.344 5.163 ( 1.982 6.027 0.000) 6.344 5.471 ( -7.101 -14.033 0.000) 15.727 5.471 ( -7.101 14.033 0.000) 15.727 5.896 ( 6.811 -9.738 0.000) 11.884 5.896 ( 6.811 9.739 0.000) 11.884 6.051 ( -1.444 -6.258 0.000) 6.422 6.051 ( -1.444 6.258 0.000) 6.423 6.157 ( 0.311 -5.506 0.000) 5.514 6.157 ( 0.311 5.506 0.000) 5.515 6.239 ( -1.131 -1.233 0.000) 1.673 6.239 ( -1.131 1.233 0.000) 1.673 6.712 ( 0.045 -2.791 0.000) 2.792 6.712 ( 0.045 2.791 0.000) 2.792 7.044 ( -7.826 -5.090 0.000) 9.336 7.044 ( -7.826 5.090 0.000) 9.336 7.382 ( 7.643 -4.364 0.000) 8.801 7.382 ( 7.643 4.364 0.000) 8.801 7.593 ( 0.949 -1.185 0.000) 1.519 7.593 ( 0.949 1.185 0.000) 1.519 7.755 ( 1.428 -6.666 0.000) 6.817 7.755 ( 1.428 6.666 0.000) 6.818 7.910 ( -2.212 -9.577 0.000) 9.829 7.910 ( -2.212 9.577 0.000) 9.829 8.371 ( 2.119 -2.552 0.000) 3.317 8.371 ( 2.119 2.552 0.000) 3.317 8.556 ( -1.323 -4.185 0.000) 4.389 8.556 ( -1.323 4.186 0.000) 4.390 8.719 ( -1.258 -11.205 0.000) 11.276 8.719 ( -1.258 11.205 0.000) 11.276 8.793 ( -4.675 -1.835 0.000) 5.022 8.793 ( -4.675 1.835 0.000) 5.022 9.347 ( 8.067 -6.934 0.000) 10.638 9.347 ( 8.067 6.935 0.000) 10.638 9.591 ( 7.191 -3.185 0.000) 7.864 9.591 ( 7.191 3.185 0.000) 7.865 10.126 ( 1.844 -1.779 0.000) 2.562 10.126 ( 1.844 1.779 0.000) 2.562 10.417 ( 0.560 -7.578 0.000) 7.598 10.417 ( 0.560 7.578 0.000) 7.599 10.773 ( -0.814 -11.954 0.000) 11.982 10.773 ( -0.814 11.955 0.000) 11.982 11.185 ( -8.232 -10.530 0.000) 13.366 11.185 ( -8.232 10.530 0.000) 13.366 11.773 ( -5.143 -9.142 0.000) 10.489 11.773 ( -5.143 9.142 0.000) 10.489 11.966 ( -5.258 -10.420 0.000) 11.672 11.966 ( -5.258 10.420 0.000) 11.672 12.718 ( 5.844 -2.573 0.000) 6.385 12.718 ( 5.844 2.573 0.000) 6.385 12.830 ( 1.241 -7.558 0.000) 7.660 12.830 ( 1.241 7.559 0.000) 7.660 14.353 ( 1.781 -9.362 0.000) 9.530 14.353 ( 1.781 9.363 0.000) 9.530 14.478 ( -1.172 -2.929 0.000) 3.155 14.478 ( -1.172 2.929 0.000) 3.155 15.466 ( 0.471 -10.835 0.000) 10.845 15.466 ( 0.471 10.835 0.000) 10.845 15.497 ( -0.257 -8.944 0.000) 8.948 15.497 ( -0.257 8.945 0.000) 8.948 17.512 ( 0.280 -7.730 0.000) 7.735 17.512 ( 0.280 7.730 0.000) 7.735 17.549 ( -0.621 -3.846 0.000) 3.895 17.549 ( -0.621 3.846 0.000) 3.896 18.039 ( 1.813 -4.418 0.000) 4.775 18.039 ( 1.813 4.418 0.000) 4.775 18.187 ( -1.782 -7.750 0.000) 7.952 18.187 ( -1.782 7.750 0.000) 7.952 19.679 ( 2.512 -3.552 0.000) 4.351 19.679 ( 2.513 3.552 0.000) 4.351 19.900 ( -2.820 -1.187 0.000) 3.059 19.900 ( -2.820 1.187 0.000) 3.060 24.348 ( 1.098 -0.408 0.000) 1.171 24.348 ( 1.098 0.408 0.000) 1.171 24.422 ( -0.684 -0.889 0.000) 1.121 24.422 ( -0.684 0.889 0.000) 1.121 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 1.705 -4.150 0.000) 4.486 3.459 ( 1.705 4.150 0.000) 4.486 3.487 ( -1.039 -5.170 0.000) 5.274 3.487 ( -1.039 5.171 0.000) 5.274 3.668 ( 5.843 -11.752 0.000) 13.124 3.668 ( 5.843 11.752 0.000) 13.124 3.797 ( -7.011 -13.515 0.000) 15.225 3.797 ( -7.011 13.515 0.000) 15.226 4.086 ( 1.047 -9.609 0.000) 9.666 4.086 ( 1.047 9.609 0.000) 9.666 4.088 ( 1.445 -8.361 0.000) 8.485 4.088 ( 1.445 8.361 0.000) 8.485 4.294 ( 0.141 -3.558 0.000) 3.561 4.294 ( 0.141 3.558 0.000) 3.561 4.323 ( -2.983 -6.422 0.000) 7.081 4.323 ( -2.983 6.422 0.000) 7.081 4.600 ( 1.474 -8.971 0.000) 9.092 4.600 ( 1.474 8.971 0.000) 9.092 4.611 ( 0.074 -8.576 0.000) 8.576 4.611 ( 0.074 8.576 0.000) 8.576 5.224 ( 4.573 -12.540 0.000) 13.348 5.224 ( 4.573 12.540 0.000) 13.348 5.335 ( -6.854 -15.717 0.000) 17.146 5.335 ( -6.854 15.717 0.000) 17.146 5.995 ( 3.054 -14.431 0.000) 14.750 5.995 ( 3.054 14.431 0.000) 14.750 6.025 ( -1.058 -11.157 0.000) 11.208 6.025 ( -1.058 11.158 0.000) 11.208 6.165 ( 1.112 -1.321 0.000) 1.727 6.165 ( 1.112 1.321 0.000) 1.727 6.204 ( -2.432 -2.195 0.000) 3.277 6.204 ( -2.432 2.195 0.000) 3.277 6.762 ( 5.345 -5.111 0.000) 7.396 6.762 ( 5.345 5.111 0.000) 7.396 6.893 ( -7.817 -5.677 0.000) 9.661 6.893 ( -7.817 5.677 0.000) 9.661 7.516 ( 5.869 -3.396 0.000) 6.780 7.516 ( 5.869 3.396 0.000) 6.780 7.590 ( -1.814 -0.811 0.000) 1.987 7.590 ( -1.814 0.811 0.000) 1.987 7.794 ( 2.681 -8.210 0.000) 8.637 7.794 ( 2.681 8.211 0.000) 8.637 7.854 ( -3.380 -8.574 0.000) 9.216 7.854 ( -3.380 8.575 0.000) 9.217 8.432 ( 4.137 -2.229 0.000) 4.699 8.432 ( 4.137 2.229 0.000) 4.699 8.510 ( -3.553 -3.421 0.000) 4.932 8.510 ( -3.553 3.422 0.000) 4.932 8.701 ( -0.379 -10.326 0.000) 10.333 8.701 ( -0.379 10.326 0.000) 10.333 8.718 ( -2.529 -6.185 0.000) 6.682 8.718 ( -2.529 6.185 0.000) 6.682 9.516 ( 8.855 -7.082 0.000) 11.339 9.516 ( 8.855 7.082 0.000) 11.339 9.643 ( -3.116 -5.868 0.000) 6.644 9.643 ( -3.116 5.868 0.000) 6.644 10.260 ( 11.272 -7.137 0.000) 13.341 10.260 ( 11.272 7.137 0.000) 13.341 10.409 ( -2.767 -11.496 0.000) 11.824 10.409 ( -2.767 11.496 0.000) 11.825 10.777 ( 2.714 -10.988 0.000) 11.319 10.777 ( 2.714 10.988 0.000) 11.319 10.945 ( -14.272 -11.051 0.000) 18.050 10.945 ( -14.272 11.051 0.000) 18.050 11.750 ( 2.818 -7.017 0.000) 7.562 11.750 ( 2.818 7.018 0.000) 7.562 11.847 ( -6.502 -8.268 0.000) 10.518 11.847 ( -6.502 8.268 0.000) 10.518 12.813 ( 3.502 -5.770 0.000) 6.749 12.813 ( 3.502 5.770 0.000) 6.749 12.846 ( -0.088 -7.423 0.000) 7.423 12.846 ( -0.088 7.423 0.000) 7.423 14.397 ( 2.633 -7.829 0.000) 8.260 14.397 ( 2.633 7.829 0.000) 8.260 14.445 ( -2.249 -5.439 0.000) 5.885 14.445 ( -2.249 5.439 0.000) 5.885 15.477 ( 0.680 -10.194 0.000) 10.217 15.477 ( 0.680 10.195 0.000) 10.217 15.490 ( -0.548 -9.470 0.000) 9.486 15.490 ( -0.548 9.471 0.000) 9.486 17.521 ( 0.610 -6.825 0.000) 6.852 17.521 ( 0.610 6.825 0.000) 6.852 17.535 ( -0.815 -5.458 0.000) 5.518 17.535 ( -0.815 5.458 0.000) 5.519 18.085 ( 2.873 -5.500 0.000) 6.205 18.085 ( 2.873 5.500 0.000) 6.205 18.141 ( -2.858 -6.763 0.000) 7.342 18.141 ( -2.858 6.763 0.000) 7.342 19.745 ( 4.194 -2.999 0.000) 5.156 19.745 ( 4.194 2.999 0.000) 5.156 19.829 ( -4.385 -2.166 0.000) 4.891 19.829 ( -4.385 2.166 0.000) 4.891 24.375 ( 1.561 -0.590 0.000) 1.669 24.375 ( 1.561 0.590 0.000) 1.669 24.403 ( -1.306 -0.763 0.000) 1.513 24.403 ( -1.306 0.763 0.000) 1.513 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 0.000 26.489) 26.489 0.812 ( 0.000 0.000 35.582) 35.582 1.166 ( 0.000 0.000 42.883) 42.883 1.725 ( 0.000 0.000 -6.683) 6.683 2.071 ( 0.000 0.000 -19.514) 19.514 2.194 ( 0.000 0.000 7.729) 7.729 2.328 ( 0.000 0.000 12.438) 12.438 2.422 ( 0.000 0.000 -4.906) 4.906 2.546 ( 0.000 0.000 -3.753) 3.753 3.001 ( 0.000 0.000 11.518) 11.518 3.386 ( 0.000 0.000 -8.500) 8.500 3.456 ( 0.000 0.000 2.112) 2.112 3.525 ( 0.000 0.000 -10.589) 10.589 3.542 ( 0.000 0.000 -1.077) 1.077 3.661 ( 0.000 0.000 -4.586) 4.586 3.723 ( 0.000 0.000 1.049) 1.049 3.745 ( 0.000 0.000 -0.298) 0.298 3.775 ( 0.000 0.000 -0.795) 0.795 3.873 ( 0.000 0.000 1.784) 1.784 3.878 ( 0.000 0.000 5.870) 5.870 4.166 ( 0.000 0.000 -18.171) 18.171 4.173 ( 0.000 0.000 -6.597) 6.597 4.423 ( 0.000 0.000 4.537) 4.537 4.564 ( 0.000 0.000 -1.722) 1.722 4.830 ( 0.000 0.000 -5.028) 5.028 4.853 ( 0.000 0.000 3.173) 3.173 5.186 ( 0.000 0.000 9.061) 9.061 5.368 ( 0.000 0.000 15.241) 15.241 5.699 ( 0.000 0.000 -13.699) 13.699 5.736 ( 0.000 0.000 5.701) 5.701 5.969 ( 0.000 0.000 -2.261) 2.261 6.021 ( 0.000 0.000 -13.204) 13.204 6.228 ( 0.000 0.000 -3.993) 3.993 6.343 ( 0.000 0.000 0.358) 0.358 6.880 ( 0.000 0.000 -1.313) 1.313 6.974 ( 0.000 0.000 -8.137) 8.137 6.995 ( 0.000 0.000 20.673) 20.673 7.036 ( 0.000 0.000 2.533) 2.533 7.168 ( 0.000 0.000 -1.277) 1.277 7.419 ( 0.000 0.000 -2.186) 2.186 7.497 ( 0.000 0.000 8.094) 8.094 7.517 ( 0.000 0.000 -3.616) 3.616 7.621 ( 0.000 0.000 -6.374) 6.374 7.623 ( 0.000 0.000 4.422) 4.422 7.652 ( 0.000 0.000 2.551) 2.551 7.730 ( 0.000 0.000 -0.688) 0.688 8.488 ( 0.000 0.000 -4.898) 4.898 8.573 ( 0.000 0.000 3.656) 3.656 8.651 ( 0.000 0.000 -6.340) 6.340 8.740 ( 0.000 0.000 -2.492) 2.492 9.174 ( 0.000 0.000 14.742) 14.742 9.514 ( 0.000 0.000 -3.447) 3.447 9.773 ( 0.000 0.000 4.240) 4.240 10.223 ( 0.000 0.000 -9.657) 9.657 10.310 ( 0.000 0.000 10.285) 10.285 10.586 ( 0.000 0.000 7.972) 7.972 10.693 ( 0.000 0.000 -0.543) 0.543 10.723 ( 0.000 0.000 -1.273) 1.273 10.893 ( 0.000 0.000 1.132) 1.132 10.900 ( 0.000 0.000 -0.005) 0.005 11.074 ( 0.000 0.000 6.290) 6.290 11.076 ( 0.000 0.000 -21.016) 21.016 11.222 ( 0.000 0.000 -17.940) 17.940 11.342 ( 0.000 0.000 -7.364) 7.364 11.685 ( 0.000 0.000 4.130) 4.130 11.786 ( 0.000 0.000 5.881) 5.881 12.172 ( 0.000 0.000 10.940) 10.940 12.439 ( 0.000 0.000 19.140) 19.140 12.494 ( 0.000 0.000 18.703) 18.703 13.133 ( 0.000 0.000 -9.222) 9.222 13.158 ( 0.000 0.000 -8.617) 8.617 13.159 ( 0.000 0.000 -27.387) 27.387 13.678 ( 0.000 0.000 0.018) 0.018 13.900 ( 0.000 0.000 -9.118) 9.118 14.488 ( 0.000 0.000 2.865) 2.865 14.550 ( 0.000 0.000 5.620) 5.620 14.850 ( 0.000 0.000 15.749) 15.749 15.179 ( 0.000 0.000 11.721) 11.721 15.441 ( 0.000 0.000 -5.396) 5.396 15.651 ( 0.000 0.000 -7.321) 7.321 17.161 ( 0.000 0.000 12.587) 12.587 17.924 ( 0.000 0.000 -14.073) 14.073 18.680 ( 0.000 0.000 1.214) 1.214 18.776 ( 0.000 0.000 -1.972) 1.972 20.163 ( 0.000 0.000 0.564) 0.564 20.193 ( 0.000 0.000 -0.534) 0.534 20.281 ( 0.000 0.000 0.580) 0.580 20.283 ( 0.000 0.000 0.562) 0.562 20.313 ( 0.000 0.000 -0.581) 0.581 20.314 ( 0.000 0.000 -0.536) 0.536 20.867 ( 0.000 0.000 1.158) 1.158 20.930 ( 0.000 0.000 -1.093) 1.093 22.190 ( 0.000 0.000 0.838) 0.838 22.217 ( 0.000 0.000 -0.219) 0.219 22.396 ( 0.000 0.000 2.613) 2.613 22.553 ( 0.000 0.000 -2.979) 2.979 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 23.641 0.000 21.271) 31.802 0.981 ( 16.049 0.000 28.579) 32.777 1.381 ( 23.429 0.000 29.917) 38.000 1.907 ( 18.742 0.000 -7.161) 20.064 2.046 ( -9.966 0.000 1.692) 10.108 2.139 ( 2.020 0.000 -10.789) 10.976 2.180 ( -10.178 0.000 13.033) 16.536 2.375 ( -3.680 0.000 -2.716) 4.573 2.506 ( -4.212 0.000 -5.745) 7.123 3.097 ( -11.024 0.000 0.739) 11.048 3.131 ( -5.917 0.000 0.895) 5.984 3.382 ( -7.342 0.000 -3.826) 8.279 3.384 ( -4.703 0.000 2.452) 5.304 3.467 ( -5.577 0.000 -0.523) 5.601 3.659 ( 6.924 0.000 1.788) 7.151 3.828 ( 6.176 0.000 0.900) 6.242 3.868 ( 5.254 0.000 0.502) 5.278 3.936 ( -1.051 0.000 -8.686) 8.749 3.943 ( 7.846 0.000 2.525) 8.242 4.008 ( 7.353 0.000 -7.601) 10.576 4.162 ( 6.625 0.000 -7.991) 10.380 4.169 ( -0.294 0.000 -5.774) 5.781 4.399 ( -2.315 0.000 4.082) 4.693 4.527 ( -3.821 0.000 -1.558) 4.126 4.702 ( -10.511 0.000 5.859) 12.033 4.808 ( -6.587 0.000 -2.970) 7.226 5.013 ( -4.641 0.000 1.938) 5.029 5.461 ( -14.101 0.000 -12.886) 19.102 5.536 ( 12.230 0.000 11.555) 16.826 5.782 ( -1.454 0.000 -1.725) 2.256 5.960 ( -4.271 0.000 -6.493) 7.772 6.083 ( -0.047 0.000 -4.301) 4.302 6.322 ( 5.015 0.000 2.075) 5.427 6.386 ( 8.649 0.000 -0.264) 8.653 6.892 ( 1.896 0.000 3.056) 3.597 6.954 ( 2.539 0.000 1.127) 2.778 7.052 ( 1.614 0.000 2.422) 2.910 7.162 ( -0.786 0.000 -0.503) 0.934 7.170 ( 10.647 0.000 9.888) 14.530 7.427 ( 0.886 0.000 -2.944) 3.074 7.482 ( -2.910 0.000 6.726) 7.329 7.512 ( -0.616 0.000 -4.079) 4.126 7.627 ( -1.034 0.000 -0.485) 1.142 7.640 ( 1.615 0.000 4.225) 4.523 7.667 ( 4.416 0.000 -2.728) 5.191 7.723 ( -0.635 0.000 0.269) 0.690 8.559 ( 0.095 0.000 -5.006) 5.007 8.571 ( 0.015 0.000 3.017) 3.017 8.601 ( 5.810 0.000 -5.991) 8.345 8.706 ( -3.243 0.000 -1.914) 3.765 9.020 ( -6.213 0.000 13.390) 14.762 9.473 ( -15.045 0.000 -8.001) 17.041 9.949 ( 15.343 0.000 -1.876) 15.458 10.212 ( 0.155 0.000 -6.130) 6.132 10.342 ( 3.230 0.000 9.920) 10.432 10.565 ( -2.265 0.000 8.093) 8.403 10.596 ( -6.310 0.000 -1.014) 6.391 10.644 ( -9.257 0.000 -0.842) 9.295 10.963 ( 2.239 0.000 3.114) 3.835 11.007 ( 12.595 0.000 -0.481) 12.604 11.092 ( 1.583 0.000 -20.665) 20.725 11.210 ( -1.272 0.000 -18.197) 18.241 11.213 ( 9.000 0.000 -0.794) 9.035 11.404 ( 5.138 0.000 -1.954) 5.497 11.583 ( -6.734 0.000 6.313) 9.231 11.798 ( 0.068 0.000 1.074) 1.076 12.112 ( -3.889 0.000 10.487) 11.185 12.444 ( 0.537 0.000 19.104) 19.112 12.488 ( -0.532 0.000 18.750) 18.757 12.795 ( -25.997 0.000 -5.408) 26.553 13.136 ( 0.241 0.000 -9.163) 9.166 13.156 ( -0.239 0.000 -8.674) 8.677 13.765 ( 8.002 0.000 -5.875) 9.927 14.001 ( 5.145 0.000 -10.291) 11.505 14.468 ( -1.829 0.000 2.578) 3.161 14.586 ( -2.919 0.000 -1.715) 3.386 14.837 ( 5.153 0.000 22.870) 23.444 15.167 ( -1.258 0.000 11.467) 11.536 15.485 ( 4.379 0.000 -5.007) 6.652 15.709 ( 2.674 0.000 -13.164) 13.433 17.175 ( 1.564 0.000 13.275) 13.367 17.650 ( -20.625 0.000 15.676) 25.906 18.554 ( -4.708 0.000 -4.573) 6.563 18.736 ( -4.091 0.000 -4.225) 5.881 20.070 ( -1.346 0.000 5.635) 5.794 20.197 ( 1.923 0.000 -1.379) 2.366 20.281 ( 0.023 0.000 0.577) 0.578 20.283 ( -0.030 0.000 0.562) 0.563 20.313 ( 0.017 0.000 -0.575) 0.575 20.314 ( -0.007 0.000 -0.539) 0.539 20.717 ( -13.701 0.000 1.131) 13.747 20.772 ( -11.737 0.000 -0.725) 11.759 22.217 ( 2.690 0.000 0.597) 2.756 22.236 ( 2.470 0.000 -0.476) 2.516 22.562 ( 10.773 0.000 0.447) 10.782 22.780 ( 11.409 0.000 -11.564) 16.245 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 17.728 0.000 24.686) 30.392 1.348 ( 21.196 0.000 18.901) 28.399 1.639 ( -8.899 0.000 19.729) 21.643 1.743 ( -19.506 0.000 12.091) 22.949 2.141 ( 14.305 0.000 -13.470) 19.649 2.245 ( 7.387 0.000 -14.065) 15.887 2.327 ( 0.845 0.000 -5.385) 5.451 2.392 ( -7.444 0.000 -10.060) 12.515 2.444 ( 24.947 0.000 6.296) 25.729 2.801 ( -12.649 0.000 0.238) 12.651 2.959 ( -2.153 0.000 7.765) 8.058 3.335 ( -0.147 0.000 2.503) 2.507 3.353 ( -21.405 0.000 5.389) 22.073 3.373 ( -3.848 0.000 1.181) 4.025 3.648 ( -1.729 0.000 -6.156) 6.394 3.743 ( -3.747 0.000 -7.374) 8.272 3.920 ( 3.062 0.000 0.855) 3.179 3.937 ( 1.692 0.000 0.480) 1.759 4.106 ( 6.967 0.000 -0.052) 6.967 4.114 ( 9.419 0.000 5.333) 10.824 4.169 ( -0.127 0.000 -2.516) 2.519 4.311 ( -5.149 0.000 1.984) 5.518 4.361 ( -0.168 0.000 1.967) 1.974 4.429 ( -5.837 0.000 -0.836) 5.896 4.606 ( 6.800 0.000 -1.429) 6.948 4.741 ( -3.011 0.000 -2.125) 3.686 5.050 ( 6.111 0.000 -16.392) 17.494 5.216 ( -10.947 0.000 -19.114) 22.027 5.718 ( 2.005 0.000 5.276) 5.644 5.780 ( 1.209 0.000 4.041) 4.218 5.835 ( 0.155 0.000 -2.692) 2.697 5.996 ( -8.038 0.000 0.342) 8.045 6.441 ( 5.816 0.000 5.022) 7.684 6.494 ( 1.161 0.000 3.968) 4.134 6.955 ( 3.906 0.000 2.930) 4.883 6.994 ( 0.470 0.000 1.908) 1.965 7.092 ( 2.405 0.000 1.991) 3.122 7.135 ( -1.956 0.000 0.986) 2.190 7.318 ( 4.081 0.000 9.722) 10.544 7.397 ( -5.038 0.000 5.708) 7.613 7.454 ( 1.861 0.000 -4.312) 4.697 7.490 ( -1.691 0.000 -4.748) 5.040 7.670 ( 5.892 0.000 -3.638) 6.925 7.676 ( 1.918 0.000 3.607) 4.085 7.706 ( -1.202 0.000 2.225) 2.529 7.739 ( 0.628 0.000 -3.459) 3.515 8.584 ( 1.605 0.000 1.401) 2.131 8.628 ( 7.489 0.000 -1.746) 7.690 8.635 ( -3.625 0.000 -0.459) 3.654 8.712 ( 1.379 0.000 -2.532) 2.883 8.979 ( 2.438 0.000 0.416) 2.473 9.149 ( -15.462 0.000 -4.899) 16.220 10.150 ( 7.591 0.000 -2.596) 8.022 10.251 ( 1.215 0.000 -5.200) 5.340 10.420 ( 4.578 0.000 9.162) 10.242 10.429 ( -5.927 0.000 1.966) 6.244 10.498 ( -7.698 0.000 -1.473) 7.837 10.504 ( -4.006 0.000 8.489) 9.387 11.031 ( 5.575 0.000 4.902) 7.423 11.131 ( 2.383 0.000 -19.824) 19.967 11.164 ( -6.692 0.000 5.352) 8.569 11.176 ( -2.193 0.000 -18.893) 19.020 11.259 ( 10.118 0.000 0.058) 10.118 11.442 ( -6.812 0.000 7.354) 10.024 11.650 ( 13.256 0.000 -5.536) 14.366 11.791 ( -1.452 0.000 -1.458) 2.057 12.102 ( 4.485 0.000 5.248) 6.903 12.347 ( -20.190 0.000 -0.511) 20.197 12.458 ( 0.868 0.000 19.003) 19.023 12.475 ( -0.864 0.000 18.867) 18.887 13.142 ( 0.388 0.000 -9.010) 9.018 13.149 ( -0.387 0.000 -8.823) 8.832 13.932 ( 8.327 0.000 -5.839) 10.170 14.037 ( -1.846 0.000 -7.055) 7.293 14.439 ( -0.299 0.000 1.575) 1.603 14.483 ( -4.867 0.000 1.319) 5.042 14.997 ( 8.420 0.000 15.351) 17.508 15.118 ( -4.293 0.000 12.261) 12.991 15.592 ( 6.327 0.000 -6.533) 9.095 15.696 ( -3.789 0.000 -11.057) 11.688 17.226 ( 4.167 0.000 16.111) 16.641 17.355 ( -10.238 0.000 21.046) 23.404 18.549 ( 3.026 0.000 -11.576) 11.965 18.638 ( -5.649 0.000 -9.219) 10.812 20.152 ( 8.403 0.000 1.578) 8.550 20.266 ( 2.894 0.000 -3.558) 4.586 20.281 ( 0.040 0.000 0.570) 0.572 20.282 ( -0.045 0.000 0.564) 0.566 20.313 ( 0.022 0.000 -0.561) 0.562 20.314 ( -0.016 0.000 -0.548) 0.548 20.455 ( -9.476 0.000 3.009) 9.943 20.539 ( -11.726 0.000 -0.796) 11.753 22.270 ( 2.101 0.000 0.406) 2.140 22.278 ( 1.255 0.000 0.068) 1.257 22.752 ( 8.367 0.000 -1.081) 8.436 22.855 ( -1.881 0.000 -5.680) 5.983 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.000 21.119 18.341) 27.971 0.891 ( 0.000 18.826 22.987) 29.712 1.597 ( 0.000 24.311 9.190) 25.990 1.885 ( 0.000 21.743 12.457) 25.059 2.086 ( 0.000 1.925 -21.633) 21.718 2.308 ( 0.000 10.171 4.442) 11.099 2.477 ( 0.000 6.702 -2.194) 7.052 2.477 ( 0.000 15.265 13.297) 20.244 2.660 ( 0.000 11.236 -3.631) 11.808 3.042 ( 0.000 4.978 11.596) 12.619 3.394 ( 0.000 0.698 -7.271) 7.305 3.521 ( 0.000 0.076 2.345) 2.346 3.527 ( 0.000 3.199 -1.548) 3.554 3.577 ( 0.000 -7.395 1.794) 7.610 3.585 ( 0.000 9.578 -4.676) 10.658 3.694 ( 0.000 -0.950 -0.732) 1.199 3.790 ( 0.000 8.331 0.562) 8.350 3.955 ( 0.000 17.608 -0.804) 17.627 4.032 ( 0.000 17.413 0.083) 17.414 4.128 ( 0.000 17.642 -0.487) 17.649 4.285 ( 0.000 11.235 -6.148) 12.807 4.349 ( 0.000 15.733 -16.697) 22.941 4.499 ( 0.000 6.978 4.006) 8.046 4.671 ( 0.000 9.282 -3.608) 9.958 4.864 ( 0.000 5.077 -2.889) 5.841 4.889 ( 0.000 4.712 4.308) 6.385 5.246 ( 0.000 6.511 8.581) 10.771 5.366 ( 0.000 0.652 15.534) 15.548 5.709 ( 0.000 1.320 -13.446) 13.510 5.732 ( 0.000 0.013 5.197) 5.197 5.975 ( 0.000 0.802 -2.131) 2.277 6.013 ( 0.000 -0.950 -13.407) 13.441 6.211 ( 0.000 -0.916 -4.236) 4.334 6.290 ( 0.000 -1.870 -0.021) 1.870 6.807 ( 0.000 -3.409 -1.552) 3.746 6.842 ( 0.000 -4.066 -0.245) 4.074 6.915 ( 0.000 -4.997 15.889) 16.656 7.341 ( 0.000 1.930 2.877) 3.465 7.368 ( 0.000 7.233 2.414) 7.625 7.388 ( 0.000 -2.767 -5.806) 6.432 7.525 ( 0.000 0.479 -0.193) 0.516 7.567 ( 0.000 6.044 -7.054) 9.289 7.630 ( 0.000 3.360 2.914) 4.448 7.795 ( 0.000 6.822 0.454) 6.837 7.816 ( 0.000 12.661 0.137) 12.662 7.851 ( 0.000 26.185 -17.622) 31.563 8.510 ( 0.000 1.713 -3.883) 4.244 8.573 ( 0.000 -2.417 -0.739) 2.527 8.672 ( 0.000 6.934 -0.309) 6.940 8.726 ( 0.000 -0.922 0.252) 0.956 9.213 ( 0.000 3.628 12.353) 12.875 9.324 ( 0.000 -8.660 12.934) 15.565 9.744 ( 0.000 -3.909 4.469) 5.938 10.148 ( 0.000 -5.001 -6.981) 8.587 10.440 ( 0.000 -7.323 -3.064) 7.938 10.472 ( 0.000 2.529 -12.564) 12.816 10.607 ( 0.000 -12.193 -9.309) 15.341 10.744 ( 0.000 -5.667 -2.535) 6.208 10.746 ( 0.000 -1.055 -0.633) 1.230 10.836 ( 0.000 -25.765 -11.728) 28.309 11.058 ( 0.000 -4.436 3.768) 5.821 11.104 ( 0.000 14.861 1.985) 14.993 11.163 ( 0.000 -3.825 -2.210) 4.418 11.343 ( 0.000 -5.895 -9.623) 11.285 11.603 ( 0.000 -7.511 6.295) 9.800 11.692 ( 0.000 -6.042 9.981) 11.668 12.144 ( 0.000 -0.129 12.327) 12.327 12.229 ( 0.000 -13.831 14.891) 20.324 12.685 ( 0.000 12.961 9.415) 16.020 12.899 ( 0.000 -7.884 -13.189) 15.366 13.164 ( 0.000 1.218 -13.839) 13.893 13.226 ( 0.000 -3.217 -27.424) 27.612 13.960 ( 0.000 22.227 -1.604) 22.285 14.048 ( 0.000 6.666 -4.950) 8.303 14.594 ( 0.000 11.010 5.080) 12.126 14.718 ( 0.000 6.657 16.433) 17.731 14.906 ( 0.000 10.324 -0.951) 10.368 15.143 ( 0.000 -3.146 11.461) 11.884 15.434 ( 0.000 -0.739 -5.557) 5.606 15.604 ( 0.000 -4.818 -7.190) 8.655 17.190 ( 0.000 3.009 10.936) 11.343 17.870 ( 0.000 -5.282 -12.771) 13.820 18.314 ( 0.000 -54.271 34.424) 64.268 18.531 ( 0.000 -15.574 0.210) 15.576 18.890 ( 0.000 -14.812 17.867) 23.209 19.590 ( 0.000 -29.323 -6.560) 30.048 19.854 ( 0.000 -30.375 0.699) 30.383 19.868 ( 0.000 -29.909 0.066) 29.909 20.793 ( 0.000 19.533 3.632) 19.868 21.141 ( 0.000 18.659 -5.704) 19.511 21.181 ( 0.000 13.536 0.790) 13.559 21.357 ( 0.000 2.866 -16.140) 16.393 22.362 ( 0.000 18.717 2.772) 18.922 22.468 ( 0.000 16.821 -1.566) 16.893 22.470 ( 0.000 9.258 0.967) 9.308 22.616 ( 0.000 18.365 -6.594) 19.513 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 14.326 14.947 21.026) 29.508 1.161 ( 25.847 14.803 14.045) 32.932 1.709 ( 10.160 21.180 11.127) 25.993 2.027 ( 12.375 15.320 2.737) 19.883 2.117 ( 3.104 3.661 -16.021) 16.724 2.198 ( -7.795 11.007 5.486) 14.560 2.350 ( -5.910 14.346 8.094) 17.499 2.465 ( -4.100 10.219 2.131) 11.215 2.618 ( -4.096 11.424 -4.905) 13.090 3.139 ( 3.946 3.730 6.300) 8.317 3.144 ( -14.738 3.418 -1.213) 15.178 3.293 ( -13.507 -1.104 2.274) 13.742 3.496 ( -5.289 2.291 -2.233) 6.182 3.543 ( -1.856 5.165 -2.258) 5.935 3.716 ( 5.066 7.888 2.925) 9.820 3.808 ( 6.670 1.627 0.403) 6.877 3.879 ( 9.596 5.059 0.604) 10.865 4.055 ( 5.675 13.129 -1.497) 14.381 4.103 ( 6.004 12.699 -2.623) 14.289 4.182 ( -3.541 10.430 -3.841) 11.665 4.281 ( 3.186 17.813 -8.163) 19.852 4.342 ( 1.523 12.755 -4.038) 13.465 4.502 ( 0.610 10.951 0.865) 11.002 4.621 ( -5.488 6.793 -2.232) 9.013 4.765 ( -7.763 7.927 4.366) 11.924 4.856 ( -4.256 5.721 -3.593) 7.985 5.062 ( -6.340 5.938 3.548) 9.383 5.486 ( -8.294 2.002 -7.113) 11.108 5.548 ( 7.428 2.385 5.742) 9.686 5.777 ( -1.036 -0.177 -1.279) 1.655 5.926 ( -5.432 -1.845 -6.102) 8.376 6.072 ( 0.038 -0.748 -3.201) 3.287 6.293 ( 6.881 -1.375 0.916) 7.077 6.376 ( 8.370 -0.840 -0.168) 8.414 6.839 ( 2.991 -3.254 3.361) 5.552 6.878 ( 3.164 -3.865 -0.900) 5.075 6.993 ( 6.797 -5.797 9.021) 12.696 7.308 ( -5.548 -0.356 -4.633) 7.237 7.335 ( -1.705 -3.504 0.174) 3.900 7.395 ( 3.063 9.202 2.600) 10.041 7.516 ( -3.490 6.550 -3.997) 8.430 7.574 ( 2.750 -0.700 0.853) 2.963 7.648 ( -0.238 6.751 1.623) 6.947 7.765 ( -2.269 6.277 1.624) 6.869 7.810 ( -0.053 13.792 -0.641) 13.807 7.838 ( 1.320 19.087 -5.686) 19.960 8.480 ( -1.333 -3.033 0.371) 3.333 8.616 ( 5.606 2.764 -5.671) 8.439 8.682 ( 1.259 6.866 -0.951) 7.045 8.741 ( -0.277 1.844 -1.069) 2.149 9.081 ( -5.129 6.406 11.003) 13.726 9.464 ( -7.263 -1.862 -5.979) 9.590 9.720 ( 10.273 -11.559 12.664) 19.988 10.159 ( -0.365 -5.380 -3.182) 6.261 10.387 ( -6.239 -2.130 -3.686) 7.553 10.464 ( 1.040 -4.039 -3.608) 5.515 10.582 ( -2.804 -5.605 -5.264) 8.185 10.692 ( -1.863 -4.760 -2.413) 5.653 10.788 ( 0.942 -11.275 -7.239) 13.432 10.840 ( 0.134 -23.834 -11.664) 26.535 11.016 ( -2.550 2.468 5.910) 6.894 11.153 ( 5.616 -5.822 -2.956) 8.613 11.282 ( 1.427 -0.454 -5.812) 6.002 11.381 ( 9.745 -1.853 -3.638) 10.565 11.552 ( -4.037 -5.308 8.048) 10.452 11.720 ( 2.211 -3.566 6.954) 8.122 12.074 ( -5.453 -0.912 9.968) 11.399 12.215 ( -1.799 -13.319 13.355) 18.947 12.626 ( -4.503 8.255 8.457) 12.646 12.862 ( -7.354 0.906 -11.068) 13.319 13.144 ( -1.305 1.580 -17.753) 17.871 13.193 ( -0.612 3.217 -9.631) 10.173 13.931 ( 0.618 16.061 -0.279) 16.076 14.070 ( 0.884 4.019 -4.875) 6.379 14.581 ( -0.889 11.164 4.380) 12.026 14.770 ( -8.953 13.250 1.097) 16.028 14.823 ( 8.222 0.590 19.161) 20.859 15.137 ( -0.876 -2.796 11.605) 11.969 15.471 ( 3.645 -1.370 -5.063) 6.387 15.664 ( 2.836 -4.608 -12.497) 13.618 17.202 ( 1.307 2.812 11.466) 11.877 17.584 ( -17.509 -6.118 17.864) 25.752 18.358 ( 2.073 -21.580 -4.886) 22.223 18.556 ( -1.484 -19.610 -3.504) 19.976 19.095 ( 16.878 -30.784 15.374) 38.326 19.606 ( 1.212 -29.877 -6.498) 30.600 19.817 ( -3.612 -30.395 1.658) 30.653 19.852 ( -1.737 -29.926 -0.120) 29.977 20.789 ( 0.022 19.373 2.745) 19.567 21.053 ( -7.947 19.024 -5.114) 21.242 21.093 ( -8.572 16.268 -1.201) 18.427 21.131 ( -14.234 15.054 -3.722) 21.050 22.366 ( 1.711 16.359 1.434) 16.511 22.400 ( 0.083 17.599 0.046) 17.599 22.614 ( 9.691 6.872 0.946) 11.917 22.814 ( 9.263 8.001 -8.677) 15.003 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 18.735 11.407 16.133) 27.229 1.590 ( 15.428 12.676 14.618) 24.747 1.725 ( -9.389 12.798 13.517) 20.848 1.954 ( -14.876 15.155 10.783) 23.817 2.206 ( 12.004 7.809 -11.322) 18.256 2.302 ( 7.928 4.483 -14.383) 17.025 2.390 ( -3.238 5.704 -11.446) 13.192 2.466 ( 0.694 10.230 -1.041) 10.306 2.592 ( 12.667 13.591 5.976) 19.516 2.865 ( -13.542 6.683 0.729) 15.119 3.038 ( 1.831 8.935 8.806) 12.678 3.306 ( 3.945 -0.274 4.944) 6.331 3.370 ( -13.228 2.724 0.319) 13.509 3.416 ( -10.092 4.196 3.976) 11.630 3.792 ( 0.934 7.656 -2.716) 8.177 3.798 ( -3.339 12.265 -3.702) 13.240 4.046 ( 6.062 8.586 1.549) 10.624 4.086 ( 1.615 12.174 2.053) 12.451 4.161 ( 1.805 10.927 -1.890) 11.235 4.179 ( 2.507 6.769 -3.026) 7.827 4.280 ( 1.783 9.388 4.576) 10.595 4.412 ( -1.641 9.106 4.646) 10.354 4.453 ( -4.928 5.681 3.517) 8.302 4.526 ( -3.774 12.480 -1.954) 13.184 4.729 ( 6.977 13.007 -4.426) 15.410 4.838 ( -0.859 10.695 -3.885) 11.411 5.076 ( 6.211 3.055 -15.572) 17.041 5.259 ( -11.595 4.650 -19.227) 22.929 5.707 ( 2.300 -0.892 5.770) 6.275 5.779 ( -3.530 -0.053 2.183) 4.151 5.821 ( 5.432 -0.212 -1.717) 5.701 5.990 ( -7.755 -0.282 -0.050) 7.760 6.429 ( 6.023 -0.911 5.171) 7.991 6.481 ( 1.315 -0.896 4.734) 4.994 6.911 ( 4.106 -3.156 2.824) 5.899 6.937 ( 2.001 -3.429 0.796) 4.049 7.086 ( 2.971 -5.169 3.668) 7.000 7.179 ( -6.933 -3.667 -0.752) 7.879 7.338 ( 1.938 -0.689 -1.325) 2.447 7.401 ( -4.080 2.819 -1.401) 5.153 7.517 ( 4.911 8.523 1.725) 9.987 7.593 ( -2.614 8.054 0.832) 8.509 7.645 ( 2.933 0.108 0.919) 3.076 7.712 ( -3.322 1.966 0.794) 3.941 7.854 ( 3.450 14.455 -0.280) 14.863 7.884 ( 1.320 15.825 -1.021) 15.912 8.534 ( 6.045 -2.641 1.404) 6.744 8.644 ( -3.667 2.445 -0.539) 4.440 8.725 ( 1.970 2.094 -2.510) 3.816 8.733 ( 0.276 5.140 -1.524) 5.368 9.059 ( 3.299 8.341 0.493) 8.983 9.213 ( -12.749 6.098 -4.535) 14.842 9.979 ( 12.259 -13.138 7.009) 19.288 10.126 ( -3.389 -8.308 2.885) 9.425 10.303 ( -1.304 -4.243 0.077) 4.440 10.385 ( -8.615 -1.500 -2.241) 9.028 10.570 ( 4.020 0.136 -0.868) 4.115 10.663 ( -3.691 3.885 -6.721) 8.596 10.809 ( 1.343 -23.064 -9.097) 24.829 10.829 ( -0.818 -25.682 -10.410) 27.724 11.019 ( 2.888 -2.961 5.325) 6.743 11.120 ( -6.989 -6.655 2.755) 10.036 11.345 ( 6.835 -2.863 -3.917) 8.382 11.465 ( -5.182 -5.875 -0.932) 7.889 11.642 ( 12.209 0.661 1.940) 12.380 11.750 ( -0.115 0.098 4.411) 4.414 12.015 ( 1.146 -4.051 5.325) 6.789 12.131 ( -7.568 -9.418 5.751) 13.380 12.574 ( 0.306 5.476 8.361) 9.999 12.665 ( -9.342 8.969 2.624) 13.213 13.162 ( 1.841 2.703 -10.419) 10.920 13.187 ( -0.678 3.835 -8.506) 9.355 13.993 ( 4.474 6.377 -2.780) 8.271 14.061 ( -2.113 2.415 -4.140) 5.238 14.578 ( 1.017 12.715 3.123) 13.132 14.633 ( -4.967 12.872 3.583) 14.255 14.985 ( 7.651 -0.752 14.477) 16.392 15.095 ( -3.856 -2.144 12.565) 13.318 15.563 ( 5.546 -2.975 -6.233) 8.858 15.656 ( -3.421 -4.141 -10.347) 11.658 17.244 ( 3.344 1.954 13.786) 14.320 17.346 ( -8.086 -0.477 18.305) 20.017 18.407 ( 3.467 -14.900 -11.637) 19.221 18.488 ( -4.618 -15.972 -9.145) 18.976 19.390 ( 13.328 -34.398 5.535) 37.303 19.582 ( -5.863 -33.036 -2.491) 33.644 19.764 ( 0.047 -28.896 1.276) 28.925 19.805 ( -2.942 -29.516 -0.405) 29.665 20.814 ( 3.027 18.810 1.037) 19.081 20.910 ( -6.792 18.311 -1.559) 19.592 20.931 ( -3.618 19.797 -1.001) 20.150 20.961 ( -5.826 19.965 -0.971) 20.820 22.409 ( 1.915 15.468 0.841) 15.609 22.420 ( 0.819 15.794 0.423) 15.821 22.787 ( 7.614 5.106 -0.669) 9.192 22.880 ( -1.540 4.666 -4.485) 6.652 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 27.347 10.739) 29.380 1.427 ( 0.000 32.150 5.833) 32.674 1.937 ( 0.000 16.690 -10.469) 19.702 2.192 ( 0.000 10.015 -18.378) 20.930 2.428 ( 0.000 20.379 3.806) 20.732 2.641 ( 0.000 28.345 12.312) 30.904 2.656 ( 0.000 10.907 -4.728) 11.888 2.844 ( 0.000 21.034 14.632) 25.623 2.957 ( 0.000 18.123 -2.045) 18.238 3.220 ( 0.000 14.270 12.430) 18.924 3.433 ( 0.000 3.937 -3.504) 5.271 3.510 ( 0.000 0.572 2.395) 2.463 3.579 ( 0.000 5.882 4.782) 7.580 3.580 ( 0.000 2.457 -5.688) 6.196 3.730 ( 0.000 5.857 -0.293) 5.864 3.845 ( 0.000 15.513 -1.958) 15.636 3.963 ( 0.000 8.953 9.295) 12.906 4.365 ( 0.000 22.558 -2.768) 22.727 4.412 ( 0.000 10.935 -3.041) 11.350 4.483 ( 0.000 24.767 -0.102) 24.767 4.617 ( 0.000 19.658 -4.067) 20.075 4.653 ( 0.000 10.471 0.636) 10.491 4.659 ( 0.000 11.577 -8.571) 14.404 4.831 ( 0.000 12.038 -11.464) 16.623 5.063 ( 0.000 15.593 1.109) 15.632 5.134 ( 0.000 20.237 3.018) 20.461 5.405 ( 0.000 3.596 13.429) 13.903 5.411 ( 0.000 8.366 6.423) 10.547 5.754 ( 0.000 3.295 -11.240) 11.713 5.778 ( 0.000 6.433 1.608) 6.631 5.979 ( 0.000 -2.558 -12.413) 12.674 6.005 ( 0.000 2.591 -2.768) 3.791 6.227 ( 0.000 3.182 -3.042) 4.402 6.286 ( 0.000 1.182 -0.589) 1.320 6.709 ( 0.000 -9.327 7.337) 11.867 6.752 ( 0.000 -2.708 -3.492) 4.420 6.843 ( 0.000 -2.477 7.156) 7.572 7.224 ( 0.000 -6.739 3.602) 7.641 7.258 ( 0.000 -8.057 -2.655) 8.483 7.544 ( 0.000 -0.287 -5.533) 5.541 7.573 ( 0.000 -2.365 -3.473) 4.202 7.621 ( 0.000 9.294 1.277) 9.381 7.788 ( 0.000 14.567 6.153) 15.813 7.952 ( 0.000 8.186 4.594) 9.387 8.080 ( 0.000 12.794 -1.464) 12.878 8.260 ( 0.000 15.638 -14.226) 21.140 8.506 ( 0.000 -2.941 -0.215) 2.949 8.551 ( 0.000 0.880 0.803) 1.192 8.744 ( 0.000 3.510 4.039) 5.351 8.904 ( 0.000 14.700 -3.342) 15.075 9.262 ( 0.000 0.537 9.315) 9.330 9.295 ( 0.000 4.202 8.355) 9.352 9.558 ( 0.000 -16.114 5.826) 17.135 10.011 ( 0.000 -8.051 -8.405) 11.639 10.197 ( 0.000 -34.369 -4.578) 34.672 10.356 ( 0.000 -5.154 -5.108) 7.256 10.395 ( 0.000 -9.361 -10.823) 14.310 10.399 ( 0.000 -7.433 -20.146) 21.474 10.679 ( 0.000 -4.386 -1.037) 4.507 10.698 ( 0.000 -2.987 1.176) 3.210 10.821 ( 0.000 -18.113 2.769) 18.324 11.016 ( 0.000 -11.776 6.638) 13.518 11.142 ( 0.000 -8.330 -6.605) 10.631 11.236 ( 0.000 -3.975 -1.540) 4.263 11.580 ( 0.000 9.078 11.812) 14.898 11.592 ( 0.000 -4.569 16.885) 17.492 12.086 ( 0.000 -2.262 7.533) 7.866 12.158 ( 0.000 1.249 7.694) 7.795 12.844 ( 0.000 0.266 -21.358) 21.359 12.875 ( 0.000 6.244 3.763) 7.290 13.079 ( 0.000 -9.561 -31.460) 32.881 13.218 ( 0.000 2.643 -9.494) 9.855 14.099 ( 0.000 -0.537 4.138) 4.172 14.361 ( 0.000 17.718 -8.774) 19.771 14.731 ( 0.000 -0.701 22.078) 22.090 14.886 ( 0.000 17.230 9.066) 19.470 14.983 ( 0.000 -6.587 7.096) 9.682 15.201 ( 0.000 8.066 3.914) 8.965 15.412 ( 0.000 -1.460 -6.069) 6.242 15.473 ( 0.000 -8.268 -6.300) 10.395 17.272 ( 0.000 5.246 7.134) 8.855 17.625 ( 0.000 -17.477 24.779) 30.323 17.738 ( 0.000 -7.706 -8.884) 11.761 18.123 ( 0.000 -23.885 -3.333) 24.117 18.721 ( 0.000 -8.159 7.425) 11.032 19.148 ( 0.000 -17.213 -6.545) 18.415 19.289 ( 0.000 -29.120 0.832) 29.132 19.318 ( 0.000 -24.777 -0.146) 24.778 20.933 ( 0.000 -4.152 1.391) 4.379 21.075 ( 0.000 -21.324 -4.169) 21.728 21.233 ( 0.000 -6.211 1.337) 6.353 21.301 ( 0.000 -4.356 -1.124) 4.498 22.763 ( 0.000 21.040 0.333) 21.043 22.776 ( 0.000 23.268 -0.543) 23.274 22.872 ( 0.000 28.899 4.360) 29.226 23.154 ( 0.000 27.165 -7.259) 28.118 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 12.568 24.773 9.288) 29.290 1.558 ( 14.189 26.107 7.299) 30.597 2.028 ( 7.865 15.421 -5.867) 18.278 2.232 ( 4.012 9.963 -14.523) 18.063 2.363 ( -6.278 15.647 -2.921) 17.111 2.591 ( -7.555 19.008 2.874) 20.655 2.608 ( -2.610 16.352 -2.085) 16.690 2.805 ( -2.201 22.932 15.309) 27.661 2.918 ( -3.508 18.220 -1.468) 18.612 3.258 ( 3.221 8.487 10.097) 13.577 3.283 ( -10.218 10.433 -0.511) 14.612 3.350 ( -7.841 9.586 5.056) 13.376 3.559 ( -3.600 5.176 -4.041) 7.489 3.648 ( 2.141 6.990 1.889) 7.551 3.867 ( 8.492 7.124 0.955) 11.126 3.940 ( 6.963 10.998 -1.710) 13.129 4.022 ( 7.507 8.699 8.661) 14.388 4.388 ( 1.833 19.640 -2.527) 19.886 4.404 ( -2.583 11.948 -3.718) 12.777 4.502 ( 0.957 25.712 -1.097) 25.753 4.529 ( -1.910 8.065 0.556) 8.307 4.644 ( -1.806 7.945 1.647) 8.313 4.716 ( -5.999 13.292 -1.437) 14.654 4.867 ( 10.069 23.799 -14.414) 29.590 5.006 ( -5.216 14.534 -0.303) 15.445 5.088 ( -3.537 19.582 -0.075) 19.899 5.256 ( -6.479 12.921 3.551) 14.884 5.516 ( 4.415 1.428 6.686) 8.138 5.660 ( -4.650 8.238 -8.787) 12.911 5.805 ( 0.444 4.266 -1.247) 4.466 5.908 ( -5.641 -0.122 -7.858) 9.674 6.063 ( 0.603 0.163 -2.711) 2.782 6.294 ( 6.213 1.658 0.732) 6.471 6.360 ( 6.811 -0.657 0.490) 6.860 6.740 ( 3.332 -7.835 6.691) 10.828 6.810 ( 3.596 -2.329 -1.887) 4.681 6.888 ( 5.005 -5.060 5.017) 8.708 7.188 ( -5.686 -7.708 -1.168) 9.649 7.218 ( -1.263 -6.580 0.295) 6.707 7.504 ( -4.867 -4.412 -9.719) 11.731 7.568 ( 2.190 1.218 2.056) 3.242 7.642 ( 1.732 8.838 -0.406) 9.015 7.830 ( 0.777 12.404 4.617) 13.259 7.896 ( -5.144 7.677 4.229) 10.162 8.086 ( 1.860 12.298 -0.859) 12.467 8.227 ( -0.482 15.864 -1.905) 15.985 8.450 ( -1.078 -0.442 1.464) 1.871 8.688 ( 9.242 3.669 -5.034) 11.145 8.770 ( 0.443 2.816 1.505) 3.224 8.861 ( -3.744 11.562 -2.735) 12.457 9.242 ( -0.124 8.225 7.441) 11.092 9.398 ( 1.973 -3.945 1.808) 4.767 9.561 ( 6.102 -8.270 8.082) 13.074 10.036 ( 1.456 -7.347 -5.845) 9.501 10.204 ( 0.501 -30.158 -6.616) 30.879 10.282 ( -5.988 -13.281 -14.278) 20.399 10.331 ( -2.049 -10.512 -4.038) 11.446 10.453 ( -0.220 -4.226 -9.247) 10.169 10.547 ( -6.130 -7.027 4.096) 10.185 10.694 ( -3.324 -5.707 -4.947) 8.252 10.853 ( 0.966 -16.137 3.459) 16.531 11.056 ( 3.701 -13.779 2.097) 14.421 11.088 ( -4.559 -5.023 -1.242) 6.896 11.314 ( 3.176 -7.020 -2.081) 7.981 11.483 ( 0.929 -0.346 14.564) 14.597 11.752 ( 8.180 6.404 7.843) 13.017 12.063 ( -3.854 -2.711 10.065) 11.114 12.093 ( -3.805 1.298 2.391) 4.678 12.700 ( -8.495 -0.017 -5.071) 9.894 12.896 ( -1.776 2.669 -18.621) 18.895 13.142 ( 3.774 -3.005 -18.256) 18.882 13.234 ( 1.550 1.643 -8.253) 8.557 14.108 ( 0.825 0.613 3.729) 3.868 14.289 ( -6.465 17.700 -2.609) 19.024 14.767 ( 3.165 0.132 18.119) 18.393 14.849 ( -2.449 9.502 8.299) 12.851 14.985 ( 0.664 2.779 6.261) 6.882 15.131 ( -3.650 5.871 8.233) 10.750 15.437 ( 1.854 -2.012 -4.566) 5.323 15.537 ( 3.225 -8.089 -9.407) 12.819 17.281 ( 0.878 5.118 7.327) 8.981 17.470 ( -8.104 -3.846 15.141) 17.599 17.903 ( 8.680 -19.493 -5.531) 22.043 18.112 ( -1.182 -23.962 -4.483) 24.407 18.777 ( 5.913 -10.880 7.140) 14.294 19.143 ( -1.072 -18.781 -6.269) 19.828 19.278 ( -1.251 -27.253 0.996) 27.300 19.295 ( -1.758 -24.844 0.316) 24.908 20.931 ( -0.051 -4.254 0.832) 4.335 21.032 ( -3.285 -15.601 -3.084) 16.238 21.170 ( -5.713 -4.906 1.499) 7.678 21.241 ( -5.681 -3.330 -1.086) 6.674 22.789 ( 2.491 24.789 0.417) 24.917 22.814 ( 3.108 23.363 -0.382) 23.572 22.908 ( 3.812 24.079 3.589) 24.641 23.153 ( -0.711 23.262 -5.992) 24.032 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 14.327 22.743 7.414) 27.883 1.867 ( 11.722 16.905 8.548) 22.277 2.041 ( -4.831 18.216 6.261) 19.859 2.218 ( -8.786 12.950 1.996) 15.776 2.410 ( 8.578 8.723 -11.461) 16.764 2.437 ( -2.502 12.180 -6.347) 13.961 2.558 ( 0.106 11.129 -11.939) 16.322 2.714 ( -9.696 12.930 -6.667) 17.483 2.917 ( 4.358 18.836 8.929) 21.296 3.065 ( -10.889 14.238 3.478) 18.259 3.318 ( 7.352 14.844 5.553) 17.471 3.397 ( 7.648 14.825 10.594) 19.761 3.464 ( -5.687 7.113 -1.350) 9.207 3.592 ( -8.591 14.529 6.024) 17.922 3.986 ( 4.923 10.802 0.673) 11.890 4.039 ( 0.800 12.294 -1.864) 12.461 4.204 ( 9.900 5.555 3.341) 11.834 4.329 ( -3.442 10.480 0.049) 11.031 4.407 ( -1.872 14.152 -0.914) 14.305 4.435 ( -1.277 15.939 -0.348) 15.994 4.510 ( -6.495 7.660 5.447) 11.425 4.545 ( -5.382 16.724 4.266) 18.079 4.706 ( 8.754 19.223 3.399) 21.394 4.876 ( -7.738 20.614 -0.106) 22.019 5.068 ( 6.081 19.547 -6.454) 21.465 5.141 ( 6.904 19.271 -11.191) 23.330 5.192 ( 1.699 10.057 -9.045) 13.633 5.405 ( -11.600 10.617 -17.712) 23.685 5.698 ( 3.867 0.577 6.649) 7.713 5.787 ( -6.017 1.312 -1.748) 6.402 5.862 ( 6.492 4.849 -1.215) 8.194 6.000 ( -6.394 1.738 -1.097) 6.716 6.414 ( 5.306 -0.605 4.831) 7.202 6.457 ( 1.603 -1.864 4.371) 5.015 6.832 ( 5.951 -5.754 2.932) 8.782 6.866 ( 2.399 -3.264 0.552) 4.088 6.955 ( 0.927 -7.204 4.193) 8.387 7.040 ( -8.375 -8.244 0.633) 11.769 7.259 ( 5.653 -5.587 -5.436) 9.629 7.387 ( -6.962 -4.605 -7.798) 11.422 7.644 ( 5.274 1.258 2.540) 5.988 7.697 ( 4.178 8.224 -0.922) 9.270 7.756 ( -6.170 5.023 4.070) 8.937 7.794 ( -5.493 8.357 0.558) 10.016 8.178 ( 5.908 15.406 3.417) 16.850 8.242 ( -0.198 16.479 4.972) 17.214 8.499 ( 6.283 -0.783 1.156) 6.436 8.667 ( -9.648 0.804 0.729) 9.709 8.829 ( 4.016 5.651 -4.734) 8.395 8.844 ( 1.331 9.706 -4.069) 10.608 9.259 ( 2.175 9.960 2.489) 10.494 9.329 ( -4.985 3.782 -0.288) 6.263 9.793 ( 13.346 -5.609 4.664) 15.210 9.995 ( -7.096 -5.020 1.254) 8.782 10.193 ( 1.243 -13.430 -12.229) 18.206 10.234 ( -0.708 -26.825 -6.960) 27.723 10.297 ( -0.793 -17.861 -0.314) 17.881 10.370 ( -7.611 -8.271 -1.005) 11.284 10.531 ( 4.962 -6.034 -1.887) 8.037 10.631 ( -3.773 -7.307 -8.403) 11.757 10.866 ( 1.668 -12.987 3.989) 13.688 10.951 ( -7.095 -9.748 1.547) 12.155 11.166 ( 5.598 -10.408 3.802) 12.415 11.265 ( -4.927 -10.492 4.485) 12.429 11.648 ( 11.695 -0.134 4.393) 12.493 11.822 ( -3.942 4.138 3.281) 6.590 11.989 ( 0.377 0.181 2.074) 2.116 12.043 ( -3.195 -0.475 0.764) 3.319 12.633 ( 3.022 1.453 -2.790) 4.362 12.778 ( -9.463 3.708 -10.614) 14.695 13.207 ( 3.111 0.301 -10.182) 10.651 13.247 ( -0.774 1.082 -8.560) 8.662 14.129 ( 1.516 4.547 3.309) 5.825 14.178 ( -4.173 11.687 3.002) 12.767 14.818 ( 1.634 5.940 6.674) 9.083 14.832 ( 0.025 6.311 5.358) 8.279 15.018 ( 2.764 4.998 10.260) 11.743 15.076 ( -2.879 3.360 11.615) 12.429 15.486 ( 3.201 -4.583 -4.850) 7.401 15.543 ( -2.140 -6.967 -7.532) 10.481 17.306 ( 1.848 4.434 8.459) 9.728 17.358 ( -3.968 2.178 11.263) 12.138 18.019 ( 4.069 -21.867 -8.628) 23.857 18.078 ( -2.372 -23.147 -7.125) 24.335 18.926 ( 8.804 -16.857 3.696) 19.374 19.076 ( -6.252 -20.424 -2.112) 21.464 19.258 ( -0.145 -23.675 0.402) 23.679 19.269 ( -1.090 -25.240 -0.050) 25.264 20.943 ( 1.629 -5.336 -0.186) 5.582 20.987 ( -2.007 -7.267 -2.126) 7.833 21.075 ( -2.023 -3.260 1.592) 4.154 21.124 ( -5.607 -2.336 -0.453) 6.091 22.838 ( 2.139 26.088 0.984) 26.194 22.855 ( 0.661 26.722 1.081) 26.752 23.008 ( 6.042 17.846 -0.053) 18.841 23.109 ( -4.077 18.672 -3.294) 19.394 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.000 29.085 6.677) 29.841 2.043 ( 0.000 30.455 1.757) 30.505 2.303 ( 0.000 21.260 -8.820) 23.017 2.470 ( 0.000 17.976 -11.498) 21.338 2.735 ( 0.000 14.545 -2.531) 14.763 2.879 ( 0.000 11.989 -6.917) 13.842 3.049 ( 0.000 12.802 3.813) 13.358 3.293 ( 0.000 14.583 -4.331) 15.213 3.340 ( 0.000 25.858 9.435) 27.525 3.535 ( 0.000 6.114 0.814) 6.168 3.569 ( 0.000 11.146 3.953) 11.827 3.621 ( 0.000 18.415 14.569) 23.482 3.688 ( 0.000 10.891 -4.650) 11.843 3.752 ( 0.000 13.399 6.804) 15.028 3.881 ( 0.000 8.671 -0.343) 8.678 4.127 ( 0.000 9.767 11.047) 14.745 4.154 ( 0.000 13.753 0.752) 13.774 4.571 ( 0.000 5.788 -3.833) 6.942 4.632 ( 0.000 -2.971 1.554) 3.353 4.652 ( 0.000 6.037 0.795) 6.089 4.887 ( 0.000 15.146 -7.178) 16.761 5.000 ( 0.000 20.569 0.683) 20.580 5.073 ( 0.000 25.021 0.080) 25.021 5.183 ( 0.000 15.412 -7.707) 17.232 5.399 ( 0.000 13.935 5.069) 14.828 5.543 ( 0.000 14.188 7.544) 16.069 5.567 ( 0.000 15.072 -2.393) 15.261 5.580 ( 0.000 22.507 -0.508) 22.513 5.819 ( 0.000 3.225 -8.016) 8.641 5.874 ( 0.000 -3.330 -6.576) 7.371 6.013 ( 0.000 8.651 -5.657) 10.337 6.093 ( 0.000 6.187 -4.188) 7.471 6.319 ( 0.000 1.566 1.076) 1.901 6.343 ( 0.000 8.567 -1.076) 8.634 6.518 ( 0.000 -8.428 6.566) 10.684 6.702 ( 0.000 -2.153 -7.476) 7.780 6.812 ( 0.000 -0.808 3.447) 3.540 7.123 ( 0.000 -2.448 6.610) 7.049 7.132 ( 0.000 -3.445 1.227) 3.657 7.396 ( 0.000 -10.045 -9.965) 14.150 7.651 ( 0.000 6.523 1.363) 6.663 7.745 ( 0.000 3.930 -0.653) 3.984 8.065 ( 0.000 3.624 6.550) 7.486 8.098 ( 0.000 12.738 9.349) 15.801 8.221 ( 0.000 2.722 -3.136) 4.152 8.465 ( 0.000 0.957 2.977) 3.127 8.523 ( 0.000 12.040 -7.242) 14.051 8.596 ( 0.000 3.462 -1.098) 3.632 8.834 ( 0.000 4.485 7.707) 8.917 9.145 ( 0.000 -20.711 8.825) 22.513 9.147 ( 0.000 8.034 -4.226) 9.077 9.281 ( 0.000 1.804 4.888) 5.210 9.393 ( 0.000 1.784 3.602) 4.019 9.529 ( 0.000 -31.685 1.655) 31.729 9.804 ( 0.000 -17.278 -18.429) 25.262 10.025 ( 0.000 -25.276 -17.526) 30.757 10.287 ( 0.000 -3.830 -6.017) 7.133 10.335 ( 0.000 -3.248 -4.823) 5.815 10.501 ( 0.000 -11.064 -2.350) 11.310 10.508 ( 0.000 -9.020 5.080) 10.353 10.679 ( 0.000 2.104 3.479) 4.065 10.866 ( 0.000 -4.939 9.714) 10.897 11.072 ( 0.000 1.244 -6.490) 6.608 11.169 ( 0.000 -0.776 0.097) 0.782 11.553 ( 0.000 1.115 16.318) 16.356 11.789 ( 0.000 10.263 5.875) 11.826 12.036 ( 0.000 -3.921 11.137) 11.807 12.210 ( 0.000 4.382 1.413) 4.604 12.802 ( 0.000 -8.925 -26.662) 28.116 12.929 ( 0.000 -1.630 -21.949) 22.009 12.934 ( 0.000 0.153 2.158) 2.163 13.249 ( 0.000 -0.617 -10.621) 10.639 14.057 ( 0.000 -2.788 10.108) 10.485 14.621 ( 0.000 8.567 -14.730) 17.040 14.728 ( 0.000 -2.688 11.971) 12.269 14.839 ( 0.000 -3.919 13.126) 13.699 15.113 ( 0.000 -0.628 -0.090) 0.635 15.284 ( 0.000 1.032 13.699) 13.738 15.354 ( 0.000 0.700 2.037) 2.154 15.410 ( 0.000 3.212 -4.980) 5.926 17.382 ( 0.000 5.973 2.509) 6.479 17.507 ( 0.000 2.329 5.650) 6.112 17.599 ( 0.000 -6.171 -3.104) 6.908 17.712 ( 0.000 -16.979 -4.344) 17.526 18.542 ( 0.000 -10.430 6.830) 12.467 18.761 ( 0.000 -25.244 2.508) 25.368 18.866 ( 0.000 -14.635 -4.770) 15.393 18.894 ( 0.000 -17.710 -2.319) 17.861 20.631 ( 0.000 -23.202 1.354) 23.241 20.721 ( 0.000 -15.676 -2.089) 15.814 21.010 ( 0.000 -15.569 1.823) 15.675 21.079 ( 0.000 -16.649 -0.811) 16.669 23.236 ( 0.000 25.683 0.297) 25.684 23.271 ( 0.000 26.107 -1.587) 26.155 23.409 ( 0.000 25.584 4.486) 25.975 23.618 ( 0.000 21.075 -3.798) 21.415 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 9.001 25.889 5.943) 28.046 2.104 ( 6.181 28.345 2.781) 29.144 2.361 ( 5.288 19.123 -5.986) 20.724 2.498 ( 2.665 16.925 -9.320) 19.505 2.672 ( -5.576 16.301 -4.277) 17.751 2.838 ( -4.846 12.456 -7.299) 15.229 2.909 ( -12.372 11.153 2.387) 16.827 3.154 ( -11.414 10.290 -5.632) 16.367 3.316 ( -2.324 22.310 8.522) 23.995 3.457 ( -1.063 13.148 8.970) 15.952 3.523 ( -2.500 14.702 1.072) 14.952 3.708 ( -2.824 11.724 1.250) 12.124 3.754 ( 6.419 26.212 5.760) 27.595 3.811 ( 8.111 9.259 3.345) 12.755 4.007 ( 10.581 7.021 0.143) 12.699 4.155 ( 1.558 10.276 5.607) 11.810 4.222 ( 6.950 11.589 5.123) 14.452 4.556 ( -3.117 4.726 -1.981) 5.998 4.586 ( -2.913 0.134 1.364) 3.219 4.661 ( -0.668 3.047 3.558) 4.732 4.840 ( -1.262 18.540 -4.412) 19.099 5.025 ( 0.206 25.772 4.491) 26.161 5.072 ( 1.497 17.647 -4.933) 18.385 5.239 ( 2.643 13.671 -6.118) 15.209 5.347 ( -5.871 14.594 1.645) 15.817 5.522 ( -2.357 24.934 -4.262) 25.406 5.543 ( -1.990 17.791 -2.860) 18.129 5.574 ( 4.362 6.219 8.380) 11.311 5.827 ( -1.533 9.475 -8.929) 13.109 5.873 ( -0.069 0.559 -6.097) 6.123 5.982 ( -1.569 6.853 -5.447) 8.893 6.117 ( 0.308 6.191 -3.070) 6.918 6.336 ( 3.007 0.159 1.522) 3.374 6.374 ( 2.416 4.278 0.709) 4.964 6.581 ( 5.780 -6.520 5.575) 10.344 6.758 ( 4.373 -3.885 -7.245) 9.312 6.817 ( 0.507 -1.321 3.591) 3.860 7.065 ( -6.295 -3.785 2.172) 7.660 7.118 ( -0.219 -2.415 4.015) 4.691 7.360 ( -3.576 -8.749 -8.433) 12.667 7.622 ( 0.409 4.004 2.066) 4.524 7.797 ( 2.570 7.564 -4.610) 9.223 7.991 ( -6.781 4.611 6.022) 10.174 8.114 ( -7.910 9.109 0.621) 12.080 8.192 ( 7.462 2.429 9.032) 11.965 8.423 ( -0.042 6.010 6.453) 8.818 8.512 ( -1.700 6.046 -2.146) 6.637 8.746 ( 10.269 2.446 -3.823) 11.228 8.869 ( 0.013 6.356 2.103) 6.695 9.028 ( -4.624 -4.298 4.989) 8.046 9.216 ( 3.561 -6.140 -1.224) 7.203 9.299 ( 1.980 -2.417 4.506) 5.483 9.518 ( 9.326 -5.130 2.423) 10.916 9.594 ( 7.637 -17.747 0.825) 19.338 9.823 ( 1.630 -18.631 -16.803) 25.142 9.998 ( -2.842 -23.670 -18.233) 30.013 10.143 ( -9.240 -6.156 -2.403) 11.360 10.320 ( -4.940 -6.998 -2.746) 8.995 10.476 ( -0.637 -2.411 -0.176) 2.500 10.572 ( 0.383 -4.902 1.526) 5.148 10.609 ( -3.027 -4.904 6.273) 8.518 10.872 ( -0.452 -3.075 2.385) 3.918 11.011 ( -2.322 -3.336 1.749) 4.425 11.217 ( -1.102 -2.157 -0.407) 2.456 11.516 ( 1.813 4.254 13.009) 13.806 11.892 ( 6.579 6.527 2.125) 9.508 12.002 ( -3.532 -4.119 9.702) 11.116 12.150 ( -4.847 4.177 0.027) 6.399 12.662 ( -6.993 -3.523 -12.627) 14.858 12.923 ( -2.045 -0.998 -20.049) 20.178 13.058 ( 6.962 -3.896 -8.559) 11.701 13.245 ( -0.422 -1.425 -9.972) 10.082 14.098 ( 4.162 -1.179 9.644) 10.570 14.539 ( -7.568 5.771 -3.603) 10.176 14.789 ( 4.593 1.461 5.367) 7.214 14.836 ( 0.021 -2.418 10.251) 10.532 15.054 ( -2.444 -0.984 6.667) 7.168 15.273 ( -2.374 1.513 2.782) 3.958 15.375 ( 2.041 1.457 2.345) 3.433 15.448 ( 2.414 0.650 -1.182) 2.765 17.390 ( 0.811 6.011 2.596) 6.598 17.474 ( -2.337 3.972 4.596) 6.508 17.635 ( 2.538 -8.951 -3.256) 9.857 17.706 ( -0.510 -16.503 -4.378) 17.082 18.565 ( 2.435 -11.696 5.680) 13.228 18.753 ( -1.085 -23.787 1.625) 23.867 18.853 ( -1.076 -15.919 -3.614) 16.359 18.885 ( -0.924 -17.301 -1.964) 17.436 20.641 ( 1.329 -21.082 1.284) 21.163 20.736 ( 1.494 -15.578 -2.504) 15.848 20.960 ( -4.732 -15.352 2.201) 16.215 21.035 ( -4.339 -15.969 -0.818) 16.568 23.281 ( 4.210 25.137 -0.032) 25.487 23.295 ( 2.570 25.570 -1.003) 25.718 23.408 ( -0.103 25.074 3.910) 25.377 23.593 ( -2.703 21.124 -3.295) 21.549 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 11.855 21.383 4.701) 24.897 2.249 ( 6.985 22.331 4.476) 23.822 2.405 ( -3.039 18.864 2.743) 19.303 2.492 ( -7.207 15.426 2.544) 17.216 2.630 ( 2.932 14.375 -10.480) 18.029 2.667 ( -4.854 12.162 -4.313) 13.786 2.791 ( -0.126 12.677 -10.074) 16.193 2.928 ( -11.557 9.886 -9.415) 17.887 3.318 ( 3.001 22.421 6.871) 23.641 3.407 ( -5.166 20.283 5.139) 21.553 3.535 ( 3.835 12.031 4.406) 13.374 3.626 ( -5.111 10.252 2.655) 11.759 3.869 ( 5.470 24.143 3.793) 25.044 3.919 ( 1.407 17.564 3.429) 17.951 4.183 ( 7.419 9.303 1.538) 11.998 4.257 ( 6.694 7.514 0.197) 10.065 4.303 ( 1.899 7.952 3.803) 9.017 4.443 ( -7.613 2.843 1.555) 8.275 4.548 ( -0.489 4.512 4.728) 6.553 4.599 ( -4.702 5.240 5.226) 8.768 4.888 ( 5.116 22.888 -0.774) 23.465 5.011 ( -7.259 24.462 0.705) 25.526 5.080 ( 6.093 18.270 3.801) 19.630 5.198 ( -4.360 13.346 -0.689) 14.056 5.364 ( 4.523 9.537 -5.397) 11.855 5.451 ( -4.327 14.488 -3.953) 15.628 5.547 ( 2.853 17.998 -8.615) 20.156 5.627 ( -2.690 9.870 -6.538) 12.141 5.805 ( 2.242 14.274 -2.766) 14.712 5.857 ( -1.871 7.859 -4.565) 9.279 5.996 ( 3.124 7.047 -2.774) 8.193 6.077 ( -4.148 6.459 -1.808) 7.887 6.403 ( 2.738 -1.548 2.283) 3.887 6.416 ( 1.318 -0.616 2.642) 3.016 6.709 ( 6.996 -5.324 1.375) 8.898 6.797 ( -1.178 -5.935 -4.443) 7.507 6.836 ( 1.867 -3.030 4.024) 5.373 6.921 ( -7.411 -3.144 4.227) 9.092 7.161 ( 4.850 -3.391 -2.009) 6.250 7.269 ( -5.735 -6.115 -6.154) 10.400 7.689 ( 6.126 3.412 3.362) 7.776 7.834 ( -7.899 4.610 3.761) 9.889 7.852 ( 3.115 7.219 -3.330) 8.539 7.958 ( -7.342 7.318 -1.839) 10.528 8.349 ( 6.794 2.196 12.167) 14.108 8.420 ( -1.350 4.526 8.954) 10.123 8.547 ( 6.028 4.358 0.698) 7.471 8.716 ( -10.081 3.498 -0.205) 10.673 8.930 ( 5.687 2.100 -0.477) 6.081 8.997 ( -1.418 -0.621 2.866) 3.257 9.305 ( 4.761 -1.809 -4.533) 6.819 9.340 ( 1.261 -3.659 0.121) 3.873 9.682 ( 8.531 -13.908 1.061) 16.351 9.769 ( 7.004 -5.344 -5.919) 10.614 9.823 ( -3.180 -17.758 -9.814) 20.537 9.904 ( -7.007 -15.773 -18.386) 25.217 10.060 ( 4.199 -8.490 3.729) 10.179 10.209 ( -7.085 -7.167 0.783) 10.108 10.423 ( -2.731 -3.963 2.327) 5.346 10.457 ( -5.922 -8.468 0.490) 10.345 10.696 ( 7.024 -1.780 4.908) 8.752 10.825 ( -5.258 -1.360 -1.789) 5.718 11.016 ( 3.178 -6.324 6.818) 9.828 11.117 ( -6.712 -4.625 4.211) 9.174 11.657 ( 10.501 1.471 4.598) 11.557 11.853 ( -9.036 -0.840 3.658) 9.784 12.009 ( 2.926 1.556 -1.141) 3.505 12.067 ( -3.713 2.228 -0.879) 4.418 12.650 ( 5.998 0.370 -7.430) 9.556 12.815 ( -8.868 -0.317 -13.062) 15.791 13.165 ( 4.437 -3.499 -10.276) 11.727 13.226 ( -1.945 -2.881 -10.208) 10.784 14.207 ( 7.163 2.493 8.781) 11.603 14.367 ( -9.477 5.466 5.850) 12.406 14.847 ( 1.314 0.865 9.421) 9.552 14.855 ( 1.131 -0.745 1.559) 2.065 15.080 ( 4.854 -1.012 4.900) 6.971 15.193 ( -5.789 0.756 0.565) 5.866 15.423 ( 2.652 1.449 1.865) 3.551 15.461 ( -1.007 0.632 0.599) 1.331 17.410 ( 1.214 6.049 2.926) 6.828 17.436 ( -1.629 5.590 3.649) 6.871 17.673 ( 1.442 -12.705 -4.213) 13.462 17.694 ( -0.816 -15.114 -4.429) 15.771 18.630 ( 4.197 -15.073 2.820) 15.898 18.709 ( -3.582 -19.415 0.626) 19.752 18.844 ( 0.354 -17.783 -1.375) 17.839 18.862 ( -1.313 -17.635 -1.296) 17.731 20.690 ( 3.857 -17.621 0.545) 18.047 20.756 ( -1.113 -15.526 -2.417) 15.752 20.880 ( -1.189 -15.149 2.232) 15.359 20.936 ( -5.241 -15.041 -0.383) 15.932 23.343 ( 2.579 25.206 0.514) 25.343 23.368 ( 1.494 25.085 0.774) 25.141 23.419 ( 3.389 22.786 0.656) 23.046 23.517 ( -5.113 21.538 -2.087) 22.235 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 0.000 28.747 3.827) 29.000 2.573 ( 0.000 24.147 -0.076) 24.147 2.749 ( 0.000 24.202 -3.868) 24.509 2.854 ( 0.000 21.022 -5.238) 21.665 3.010 ( 0.000 13.990 -2.834) 14.275 3.118 ( 0.000 12.868 -6.003) 14.200 3.256 ( 0.000 9.630 2.416) 9.929 3.443 ( 0.000 2.247 -7.515) 7.844 3.708 ( 0.000 6.034 1.369) 6.188 3.727 ( 0.000 12.321 1.342) 12.394 3.759 ( 0.000 18.103 3.178) 18.380 3.905 ( 0.000 11.678 9.920) 15.322 3.967 ( 0.000 15.414 0.605) 15.425 4.042 ( 0.000 8.254 1.552) 8.399 4.165 ( 0.000 21.627 9.900) 23.786 4.284 ( 0.000 6.582 10.506) 12.397 4.397 ( 0.000 10.192 1.025) 10.244 4.558 ( 0.000 -3.144 3.029) 4.366 4.626 ( 0.000 -0.163 -2.664) 2.669 4.741 ( 0.000 4.398 4.041) 5.973 5.088 ( 0.000 5.584 -11.657) 12.925 5.212 ( 0.000 -1.224 -5.240) 5.381 5.404 ( 0.000 13.724 5.260) 14.698 5.508 ( 0.000 12.864 3.723) 13.392 5.634 ( 0.000 18.588 6.761) 19.780 5.783 ( 0.000 -4.270 -1.120) 4.414 5.805 ( 0.000 6.501 -3.748) 7.504 5.981 ( 0.000 14.400 -2.792) 14.668 5.983 ( 0.000 2.194 4.485) 4.993 5.994 ( 0.000 20.735 -9.302) 22.725 6.061 ( 0.000 15.161 -1.285) 15.216 6.173 ( 0.000 -0.193 -2.175) 2.183 6.331 ( 0.000 1.902 0.948) 2.126 6.447 ( 0.000 1.141 -8.990) 9.062 6.536 ( 0.000 7.898 -4.150) 8.922 6.725 ( 0.000 6.179 -11.838) 13.354 6.833 ( 0.000 3.252 5.396) 6.300 7.126 ( 0.000 -3.432 -1.446) 3.724 7.171 ( 0.000 7.771 8.389) 11.435 7.241 ( 0.000 0.542 1.567) 1.658 7.745 ( 0.000 -3.264 7.311) 8.006 7.800 ( 0.000 8.417 0.590) 8.438 8.107 ( 0.000 0.855 4.073) 4.162 8.110 ( 0.000 -2.352 -4.921) 5.454 8.381 ( 0.000 -2.489 8.336) 8.699 8.499 ( 0.000 8.007 6.985) 10.626 8.670 ( 0.000 4.226 -3.350) 5.393 8.725 ( 0.000 8.160 -2.661) 8.583 8.766 ( 0.000 -10.690 5.774) 12.150 8.945 ( 0.000 0.920 7.330) 7.388 9.001 ( 0.000 -17.788 -1.852) 17.884 9.157 ( 0.000 -4.453 -3.559) 5.701 9.319 ( 0.000 -26.768 -15.622) 30.993 9.362 ( 0.000 -6.332 -6.507) 9.080 9.450 ( 0.000 1.769 2.102) 2.747 9.506 ( 0.000 -17.610 -8.105) 19.386 10.216 ( 0.000 -3.425 -1.216) 3.635 10.231 ( 0.000 -6.344 -1.854) 6.610 10.372 ( 0.000 -1.925 -3.622) 4.101 10.483 ( 0.000 1.934 -2.072) 2.834 10.759 ( 0.000 -5.979 16.265) 17.329 10.790 ( 0.000 8.434 6.098) 10.407 11.159 ( 0.000 6.639 -9.525) 11.610 11.186 ( 0.000 1.324 0.516) 1.421 11.620 ( 0.000 4.494 11.522) 12.368 11.950 ( 0.000 -3.870 15.910) 16.374 11.951 ( 0.000 6.150 -0.989) 6.229 12.323 ( 0.000 7.273 -0.853) 7.322 12.588 ( 0.000 -10.613 -18.785) 21.576 12.894 ( 0.000 -3.975 2.041) 4.469 12.942 ( 0.000 0.951 -18.967) 18.991 13.163 ( 0.000 -8.040 -4.327) 9.130 14.023 ( 0.000 -0.759 5.741) 5.791 14.562 ( 0.000 -10.309 0.147) 10.310 14.670 ( 0.000 -3.097 -16.396) 16.686 14.921 ( 0.000 8.699 16.945) 19.047 14.925 ( 0.000 -13.494 -7.841) 15.607 15.286 ( 0.000 0.266 18.549) 18.551 15.429 ( 0.000 5.574 -1.812) 5.861 15.556 ( 0.000 7.859 2.391) 8.215 17.475 ( 0.000 -6.473 0.132) 6.475 17.510 ( 0.000 7.239 -3.579) 8.075 17.530 ( 0.000 -2.042 0.120) 2.046 17.620 ( 0.000 7.830 -1.312) 7.939 18.289 ( 0.000 -18.099 4.165) 18.573 18.355 ( 0.000 -14.049 7.768) 16.054 18.525 ( 0.000 -16.949 -4.774) 17.608 18.662 ( 0.000 -10.370 -3.529) 10.954 20.210 ( 0.000 -19.862 2.823) 20.062 20.383 ( 0.000 -18.313 -3.657) 18.674 20.671 ( 0.000 -18.701 1.475) 18.759 20.716 ( 0.000 -19.920 -0.376) 19.924 23.700 ( 0.000 21.593 0.315) 21.595 23.735 ( 0.000 21.268 -1.499) 21.320 23.844 ( 0.000 19.442 3.277) 19.716 23.974 ( 0.000 15.836 -1.955) 15.956 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 4.069 26.428 3.523) 26.971 2.608 ( 3.429 23.400 0.991) 23.671 2.762 ( 1.137 21.855 -2.716) 22.053 2.855 ( -0.019 19.244 -3.700) 19.596 2.977 ( -3.653 14.606 -3.115) 15.375 3.081 ( -5.893 12.661 -3.854) 14.487 3.113 ( -8.966 11.301 -1.743) 14.530 3.298 ( -9.873 6.592 -6.233) 13.409 3.716 ( -0.232 17.882 3.650) 18.252 3.739 ( 0.912 14.865 6.707) 16.333 3.818 ( 3.715 13.819 0.055) 14.310 3.925 ( -2.737 10.532 3.581) 11.456 3.992 ( 5.918 10.250 0.479) 11.845 4.126 ( 7.254 6.646 0.509) 9.851 4.234 ( 6.579 18.353 6.236) 20.470 4.333 ( 1.558 7.586 8.290) 11.345 4.418 ( 4.906 7.220 4.054) 9.624 4.545 ( -1.611 -0.833 3.513) 3.954 4.626 ( -0.900 1.911 -1.628) 2.667 4.720 ( -1.492 2.915 5.637) 6.519 5.072 ( 0.000 4.859 -7.513) 8.947 5.275 ( 3.615 -2.988 -3.145) 5.647 5.364 ( -1.679 13.482 1.997) 13.732 5.503 ( -0.827 16.960 2.497) 17.163 5.621 ( -0.871 11.276 3.436) 11.820 5.699 ( -5.839 4.897 1.127) 7.704 5.839 ( -1.279 8.029 -4.762) 9.422 5.913 ( -4.402 18.703 -3.763) 19.579 5.994 ( 1.469 0.258 1.316) 1.989 6.022 ( 2.217 13.148 -0.852) 13.361 6.100 ( 4.591 7.184 -2.238) 8.815 6.197 ( 1.233 5.849 -4.685) 7.595 6.352 ( 2.221 5.475 -3.839) 7.046 6.470 ( -0.810 3.307 -6.438) 7.283 6.552 ( 4.433 2.519 -3.608) 6.246 6.720 ( -0.874 0.673 -8.059) 8.134 6.855 ( 1.227 6.626 3.113) 7.423 7.052 ( -5.532 -0.088 2.320) 5.999 7.164 ( -1.495 7.245 6.148) 9.619 7.242 ( -0.009 0.118 -0.120) 0.168 7.698 ( 0.287 3.125 5.612) 6.430 7.923 ( 6.676 4.317 -1.036) 8.017 8.026 ( -5.540 -0.231 1.382) 5.714 8.109 ( -1.879 0.606 0.093) 1.977 8.366 ( -1.251 1.997 10.196) 10.465 8.506 ( 0.960 3.793 5.721) 6.931 8.582 ( -7.230 1.785 3.430) 8.199 8.700 ( 0.324 -11.255 5.921) 12.722 8.826 ( 2.173 -0.118 -4.066) 4.612 8.915 ( -3.105 -4.059 3.790) 6.362 9.090 ( 9.417 -5.729 -2.789) 11.370 9.232 ( 5.750 -6.293 -8.801) 12.253 9.338 ( 2.224 -22.686 -15.363) 27.489 9.365 ( 0.096 -14.657 -9.496) 17.465 9.537 ( 4.421 -8.367 -2.294) 9.737 9.585 ( 10.811 -1.568 0.843) 10.957 10.046 ( -8.780 -2.988 1.810) 9.450 10.265 ( -4.014 0.290 -1.850) 4.429 10.397 ( 4.846 -4.204 -2.710) 6.965 10.570 ( 4.340 2.273 0.184) 4.902 10.601 ( -9.478 0.263 9.409) 13.358 10.851 ( 1.604 0.430 12.068) 12.182 11.008 ( -8.994 2.870 -6.533) 11.481 11.221 ( -3.004 2.030 -1.804) 4.049 11.630 ( 2.180 6.391 10.779) 12.720 11.911 ( -3.643 -4.597 11.999) 13.356 11.978 ( 1.876 2.108 -2.766) 3.951 12.247 ( -6.721 5.442 -1.588) 8.793 12.583 ( 0.767 -3.804 -12.050) 12.659 12.847 ( -3.079 -5.423 -5.271) 8.166 13.026 ( 5.378 -0.385 -13.078) 14.146 13.165 ( 0.040 -6.559 -6.264) 9.070 14.075 ( 5.152 -1.289 5.958) 7.981 14.490 ( -5.772 -7.705 -0.886) 9.668 14.736 ( 4.685 -5.154 -12.475) 14.287 14.898 ( -1.645 -5.586 -1.989) 6.154 14.957 ( 2.823 2.410 11.598) 12.177 15.223 ( -4.673 0.550 13.192) 14.006 15.479 ( 3.330 4.223 1.445) 5.569 15.551 ( -0.421 7.609 2.518) 8.026 17.474 ( -0.063 -5.451 0.700) 5.497 17.500 ( -0.760 2.023 -1.272) 2.508 17.544 ( 1.200 2.523 -2.130) 3.513 17.615 ( -0.554 7.224 -1.715) 7.445 18.300 ( 1.090 -17.613 4.045) 18.104 18.352 ( -0.227 -14.956 6.738) 16.405 18.527 ( 0.227 -16.114 -4.290) 16.677 18.637 ( -2.409 -10.832 -3.429) 11.614 20.243 ( 3.407 -19.332 2.488) 19.787 20.403 ( 1.895 -18.106 -3.666) 18.570 20.622 ( -4.611 -18.656 1.977) 19.319 20.683 ( -3.358 -19.383 -0.610) 19.681 23.731 ( 3.024 20.847 0.122) 21.066 23.752 ( 1.667 20.936 -1.064) 21.030 23.841 ( -0.407 19.441 2.834) 19.651 23.955 ( -2.037 16.259 -1.723) 16.477 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 6.977 21.167 3.506) 22.561 2.669 ( 0.330 20.022 2.514) 20.182 2.763 ( -1.999 18.211 2.291) 18.463 2.795 ( -4.984 15.543 3.819) 16.763 2.917 ( 0.715 15.389 -4.456) 16.037 2.960 ( -3.141 17.423 -5.532) 18.548 3.052 ( 0.168 14.527 -8.912) 17.043 3.131 ( -7.246 11.743 -9.178) 16.573 3.753 ( 3.584 21.385 3.893) 22.030 3.770 ( 2.405 14.454 6.804) 16.156 3.824 ( -2.551 18.166 2.270) 18.485 3.843 ( -4.210 12.185 3.837) 13.450 4.131 ( 7.074 6.960 -0.516) 9.937 4.229 ( -1.120 7.443 -2.664) 7.984 4.331 ( 6.014 6.531 1.982) 9.097 4.388 ( 6.433 7.995 4.523) 11.214 4.469 ( -4.654 6.603 1.639) 8.243 4.505 ( -3.655 4.147 3.988) 6.816 4.618 ( 3.855 3.642 6.473) 8.368 4.691 ( -2.417 4.094 6.790) 8.288 5.125 ( 5.424 1.902 -1.624) 5.973 5.235 ( -5.214 1.224 3.617) 6.463 5.441 ( 6.787 4.915 -4.923) 9.719 5.508 ( 1.959 19.310 1.537) 19.470 5.568 ( -5.505 17.203 -0.904) 18.085 5.582 ( -5.744 3.576 1.533) 6.938 5.794 ( 0.003 11.926 -3.551) 12.444 5.842 ( -3.753 11.583 -1.829) 12.312 6.044 ( 2.951 -0.220 0.049) 2.960 6.069 ( 1.159 6.607 -0.536) 6.729 6.177 ( 2.637 8.031 -4.971) 9.806 6.201 ( -0.406 14.728 -6.881) 16.261 6.402 ( 2.730 4.311 -3.196) 6.021 6.445 ( -1.624 3.908 -3.775) 5.671 6.644 ( 4.011 -3.832 -6.951) 8.893 6.699 ( -1.602 -3.686 -7.662) 8.652 6.863 ( 1.340 7.920 6.247) 10.176 6.941 ( -5.904 6.571 5.594) 10.456 7.170 ( 2.417 4.393 2.180) 5.468 7.222 ( -2.206 2.724 -0.084) 3.507 7.766 ( 6.161 4.136 5.663) 9.334 7.903 ( -7.403 2.537 5.302) 9.453 8.004 ( 2.771 7.465 -5.647) 9.762 8.061 ( -3.067 3.414 -2.411) 5.184 8.373 ( 2.753 0.337 11.174) 11.513 8.452 ( -4.955 -3.884 7.365) 9.689 8.574 ( 4.065 -0.560 7.462) 8.516 8.657 ( -4.001 -11.813 9.257) 15.532 8.852 ( 0.708 -0.667 -3.651) 3.779 8.871 ( -1.505 -4.791 0.960) 5.113 9.278 ( 8.054 -4.356 -7.524) 11.851 9.316 ( 2.943 -19.949 -13.048) 24.018 9.357 ( -0.150 -23.415 -16.387) 28.580 9.396 ( 1.391 -3.473 -13.174) 13.695 9.637 ( 4.535 -2.969 -0.038) 5.420 9.701 ( -1.744 -5.040 -2.592) 5.929 10.020 ( 8.916 1.337 8.637) 12.485 10.204 ( -4.366 5.962 6.169) 9.626 10.362 ( -5.073 -1.096 4.852) 7.104 10.437 ( -6.576 3.864 3.831) 8.536 10.682 ( 7.172 -2.533 -0.316) 7.613 10.842 ( -8.453 -0.125 -5.669) 10.179 10.919 ( 6.715 -1.754 7.356) 10.114 11.087 ( -9.426 0.988 2.030) 9.693 11.706 ( 5.282 3.297 7.245) 9.553 11.816 ( -5.902 -2.321 5.900) 8.662 12.025 ( 3.493 -0.194 -2.096) 4.078 12.117 ( -6.155 2.604 -1.717) 6.900 12.648 ( 5.661 -0.499 -6.553) 8.674 12.764 ( -5.750 -4.098 -6.185) 9.387 13.111 ( 3.385 -1.878 -11.868) 12.483 13.155 ( -1.305 -4.072 -9.651) 10.556 14.204 ( 7.971 -2.568 5.579) 10.063 14.359 ( -7.906 -4.884 2.865) 9.725 14.814 ( 3.271 -5.106 -7.623) 9.740 14.863 ( -2.068 -4.869 -3.800) 6.513 15.034 ( 5.008 1.842 10.481) 11.761 15.132 ( -5.033 -0.092 9.308) 10.582 15.525 ( 1.482 4.783 2.445) 5.573 15.542 ( -0.544 6.457 2.649) 7.000 17.476 ( 0.316 -3.612 1.099) 3.788 17.486 ( -0.710 -1.497 0.313) 1.686 17.571 ( 1.513 4.942 -2.946) 5.949 17.598 ( -1.239 6.136 -2.520) 6.748 18.325 ( 1.353 -16.963 4.006) 17.482 18.345 ( -0.673 -16.446 4.853) 17.160 18.540 ( 1.419 -14.091 -3.477) 14.583 18.583 ( -2.891 -12.117 -3.259) 12.877 20.333 ( 5.775 -18.388 1.381) 19.323 20.426 ( -1.769 -17.793 -2.318) 18.030 20.544 ( -0.900 -18.591 1.715) 18.692 20.601 ( -4.727 -18.648 -0.694) 19.251 23.785 ( 2.008 20.051 0.205) 20.152 23.801 ( 2.115 19.541 0.070) 19.655 23.834 ( 0.981 19.375 1.045) 19.428 23.899 ( -3.741 17.502 -1.099) 17.931 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 0.000 25.211 0.735) 25.222 2.985 ( 0.000 18.748 -1.046) 18.777 3.181 ( 0.000 18.204 2.843) 18.425 3.253 ( 0.000 19.097 -1.336) 19.143 3.280 ( 0.000 14.245 -2.523) 14.467 3.382 ( 0.000 14.582 -4.593) 15.288 3.438 ( 0.000 9.917 -1.608) 10.046 3.460 ( 0.000 0.720 -3.730) 3.799 3.774 ( 0.000 1.981 0.769) 2.125 3.902 ( 0.000 4.966 -4.580) 6.756 4.087 ( 0.000 15.468 4.254) 16.042 4.133 ( 0.000 11.661 10.109) 15.433 4.162 ( 0.000 4.417 8.343) 9.440 4.245 ( 0.000 10.344 8.087) 13.130 4.364 ( 0.000 2.036 4.604) 5.034 4.440 ( 0.000 6.225 3.563) 7.173 4.451 ( 0.000 -0.799 2.831) 2.942 4.593 ( 0.000 -2.356 -1.079) 2.591 4.671 ( 0.000 12.649 -1.380) 12.724 4.796 ( 0.000 0.337 4.252) 4.266 5.105 ( 0.000 -7.984 -6.592) 10.353 5.118 ( 0.000 -2.104 -12.960) 13.130 5.590 ( 0.000 -2.102 6.485) 6.817 5.648 ( 0.000 3.313 2.980) 4.456 5.697 ( 0.000 0.014 1.153) 1.153 5.853 ( 0.000 3.997 -2.860) 4.915 5.886 ( 0.000 1.885 5.141) 5.475 6.014 ( 0.000 8.307 1.136) 8.384 6.066 ( 0.000 -4.179 -2.135) 4.692 6.199 ( 0.000 11.405 3.839) 12.034 6.302 ( 0.000 1.869 -4.238) 4.632 6.392 ( 0.000 12.034 2.259) 12.244 6.528 ( 0.000 13.171 -4.268) 13.845 6.566 ( 0.000 13.717 -11.257) 17.745 6.610 ( 0.000 0.648 -5.353) 5.392 6.882 ( 0.000 6.174 -9.496) 11.326 6.937 ( 0.000 9.221 2.261) 9.494 7.000 ( 0.000 -1.783 0.066) 1.785 7.362 ( 0.000 8.714 10.335) 13.518 7.415 ( 0.000 11.878 6.313) 13.451 7.731 ( 0.000 3.748 3.269) 4.974 7.943 ( 0.000 4.289 -0.977) 4.399 8.065 ( 0.000 -6.285 -1.299) 6.417 8.098 ( 0.000 -1.112 -0.344) 1.164 8.150 ( 0.000 -9.249 7.361) 11.820 8.606 ( 0.000 -0.835 -0.927) 1.248 8.686 ( 0.000 -24.115 -14.204) 27.988 8.737 ( 0.000 -4.291 -5.743) 7.169 8.749 ( 0.000 3.296 0.931) 3.425 8.794 ( 0.000 -1.378 -1.306) 1.898 8.845 ( 0.000 4.080 0.406) 4.100 8.898 ( 0.000 -21.761 -8.493) 23.360 9.004 ( 0.000 4.259 7.322) 8.470 9.228 ( 0.000 3.730 -2.889) 4.718 9.485 ( 0.000 2.172 1.157) 2.461 9.499 ( 0.000 0.598 -0.862) 1.049 10.148 ( 0.000 -1.528 3.701) 4.004 10.162 ( 0.000 -2.109 -0.015) 2.109 10.400 ( 0.000 4.111 -3.922) 5.681 10.491 ( 0.000 -1.508 -6.822) 6.986 10.638 ( 0.000 -6.569 16.393) 17.660 10.947 ( 0.000 6.379 4.377) 7.737 11.180 ( 0.000 -2.233 1.662) 2.784 11.306 ( 0.000 7.703 -7.896) 11.031 11.674 ( 0.000 1.286 8.180) 8.280 11.934 ( 0.000 2.544 19.794) 19.957 12.016 ( 0.000 0.791 -6.159) 6.210 12.429 ( 0.000 -6.148 -7.162) 9.439 12.484 ( 0.000 9.046 -1.423) 9.157 12.797 ( 0.000 -5.403 2.317) 5.879 12.902 ( 0.000 -7.836 -3.921) 8.762 13.021 ( 0.000 -2.995 -5.610) 6.359 14.006 ( 0.000 -0.977 -0.957) 1.367 14.393 ( 0.000 -6.623 -7.617) 10.093 14.545 ( 0.000 -8.811 -15.349) 17.698 14.660 ( 0.000 -13.215 -9.450) 16.246 15.122 ( 0.000 11.434 13.867) 17.973 15.324 ( 0.000 4.093 16.666) 17.161 15.539 ( 0.000 4.817 -3.258) 5.816 15.654 ( 0.000 2.210 0.969) 2.414 17.416 ( 0.000 -0.071 2.760) 2.760 17.538 ( 0.000 2.254 4.276) 4.834 17.641 ( 0.000 5.465 -6.798) 8.722 17.775 ( 0.000 6.789 -4.046) 7.903 17.964 ( 0.000 -12.774 4.807) 13.649 18.128 ( 0.000 -10.040 9.582) 13.879 18.236 ( 0.000 -12.563 -5.274) 13.625 18.473 ( 0.000 -9.188 -4.034) 10.034 19.880 ( 0.000 -13.875 2.545) 14.106 20.044 ( 0.000 -16.142 -3.523) 16.522 20.316 ( 0.000 -17.263 0.980) 17.290 20.342 ( 0.000 -18.072 -0.116) 18.073 24.053 ( 0.000 14.697 0.253) 14.699 24.077 ( 0.000 13.939 -0.868) 13.966 24.161 ( 0.000 13.315 1.832) 13.440 24.231 ( 0.000 10.685 -0.953) 10.727 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 0.608 23.386 0.899) 23.412 3.012 ( 1.941 18.686 0.226) 18.787 3.156 ( -2.275 17.017 2.182) 17.307 3.190 ( -7.499 12.294 1.853) 14.519 3.236 ( -2.207 15.540 -2.238) 15.855 3.345 ( -3.494 14.517 -2.536) 15.145 3.371 ( -1.353 15.619 -6.157) 16.843 3.445 ( -3.609 8.760 -5.468) 10.939 3.884 ( 8.572 0.674 -1.011) 8.658 3.971 ( 4.656 6.828 -0.697) 8.294 4.068 ( -0.341 11.763 3.545) 12.290 4.119 ( -1.998 8.186 4.381) 9.497 4.171 ( 1.902 8.647 6.929) 11.242 4.296 ( 2.944 8.171 4.672) 9.862 4.416 ( 4.554 1.519 5.167) 7.053 4.435 ( -0.499 0.560 1.985) 2.122 4.459 ( 3.047 5.944 10.320) 12.293 4.590 ( 0.043 0.972 0.227) 0.999 4.708 ( -0.240 6.237 -0.171) 6.244 4.756 ( -1.398 1.189 3.588) 4.030 5.059 ( -2.161 -5.327 -7.202) 9.215 5.173 ( 2.601 -5.860 -6.988) 9.484 5.543 ( -4.018 1.933 4.554) 6.373 5.642 ( -1.479 0.756 2.788) 3.245 5.719 ( 2.098 0.757 0.917) 2.411 5.810 ( -2.073 4.747 -3.617) 6.318 5.922 ( 3.409 1.675 4.151) 5.626 6.027 ( -0.056 3.887 -0.693) 3.949 6.098 ( 3.148 1.928 -1.037) 3.834 6.157 ( -4.071 7.278 2.391) 8.676 6.275 ( -4.148 7.588 0.260) 8.652 6.378 ( 1.541 10.624 -2.723) 11.075 6.532 ( 0.477 8.713 -4.806) 9.962 6.581 ( -0.311 0.095 -5.991) 6.000 6.613 ( 0.365 7.491 -8.436) 11.288 6.793 ( -5.579 9.986 -7.711) 13.795 6.972 ( 3.610 3.902 4.174) 6.759 7.097 ( 6.778 8.683 -1.047) 11.065 7.367 ( -2.805 9.491 5.507) 11.325 7.371 ( -1.224 11.242 7.407) 13.518 7.751 ( 2.399 3.566 4.267) 6.056 7.951 ( -0.162 -0.967 -0.383) 1.052 8.047 ( -1.030 -3.067 0.858) 3.347 8.095 ( 0.238 -3.586 -0.293) 3.605 8.194 ( 3.611 -4.924 4.949) 7.860 8.529 ( -6.241 -1.620 -0.306) 6.456 8.622 ( -6.737 3.051 1.662) 7.580 8.698 ( -0.951 -23.003 -9.164) 24.779 8.707 ( -2.099 2.366 0.062) 3.164 8.792 ( 0.518 -9.866 -8.664) 13.140 8.894 ( -1.981 -5.099 -3.573) 6.534 8.910 ( 1.867 -10.517 -6.359) 12.431 9.096 ( 11.039 3.112 2.596) 11.759 9.334 ( 7.882 4.372 -4.016) 9.868 9.543 ( 4.844 -0.095 0.499) 4.870 9.578 ( 7.033 1.037 0.118) 7.110 10.046 ( -3.992 2.771 4.517) 6.635 10.254 ( 4.180 -2.316 2.931) 5.606 10.381 ( 1.673 3.053 -5.820) 6.782 10.537 ( -4.827 -4.852 9.300) 11.547 10.607 ( 3.844 -0.526 0.323) 3.893 10.899 ( -5.272 3.400 6.520) 9.048 11.061 ( -9.568 1.146 -3.279) 10.179 11.282 ( -5.161 3.977 -3.842) 7.564 11.705 ( 3.085 0.719 7.779) 8.399 11.876 ( -4.911 2.164 16.139) 17.008 11.981 ( -2.191 -1.265 -3.054) 3.966 12.310 ( -8.660 -0.824 -2.912) 9.174 12.566 ( 4.968 3.390 -3.336) 6.878 12.755 ( -2.537 -3.532 1.018) 4.466 12.983 ( 5.662 -6.769 -4.438) 9.878 13.047 ( 2.244 -2.580 -6.646) 7.474 14.043 ( 3.712 -1.650 -0.951) 4.172 14.346 ( -4.145 -5.969 -6.985) 10.079 14.583 ( 3.091 -9.910 -13.989) 17.420 14.666 ( 0.425 -12.931 -9.762) 16.208 15.135 ( 1.399 11.081 13.700) 17.675 15.292 ( -2.901 5.768 15.198) 16.512 15.562 ( 2.025 3.730 -1.865) 4.636 15.648 ( -0.614 2.281 0.838) 2.507 17.424 ( 0.776 0.164 3.036) 3.138 17.519 ( -1.772 2.048 4.107) 4.920 17.656 ( 1.469 5.286 -6.442) 8.461 17.763 ( -1.227 6.387 -4.382) 7.842 17.984 ( 1.924 -12.416 5.010) 13.527 18.114 ( -1.487 -10.294 8.924) 13.705 18.252 ( 1.742 -11.876 -5.008) 13.006 18.445 ( -2.852 -9.165 -4.069) 10.425 19.916 ( 3.619 -14.049 2.286) 14.687 20.066 ( 2.189 -16.047 -3.422) 16.554 20.270 ( -4.293 -17.004 1.507) 17.602 20.317 ( -2.682 -17.759 -0.475) 17.967 24.071 ( 1.775 14.169 0.185) 14.281 24.089 ( 1.300 13.868 -0.702) 13.947 24.157 ( -0.409 13.254 1.625) 13.359 24.219 ( -1.260 10.996 -0.837) 11.099 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 1.689 20.308 1.881) 20.465 3.019 ( -2.738 16.333 2.123) 16.697 3.080 ( -0.851 15.143 2.770) 15.418 3.110 ( -2.520 16.669 2.009) 16.978 3.230 ( 1.313 15.808 -2.605) 16.075 3.274 ( -3.298 14.565 -2.425) 15.129 3.357 ( -0.019 16.653 -8.335) 18.622 3.382 ( -2.560 13.690 -7.707) 15.917 4.001 ( 2.585 7.307 3.424) 8.473 4.041 ( -2.106 8.065 5.119) 9.782 4.050 ( 4.700 7.284 0.395) 8.677 4.107 ( -0.426 8.603 0.257) 8.617 4.243 ( 4.651 5.260 1.627) 7.207 4.310 ( -1.894 4.705 1.288) 5.233 4.446 ( 2.921 6.167 3.604) 7.717 4.486 ( 3.545 1.556 1.764) 4.255 4.522 ( -0.955 0.190 6.373) 6.447 4.582 ( -4.428 3.223 2.748) 6.127 4.676 ( 4.826 1.701 8.596) 10.004 4.762 ( -1.811 3.171 2.117) 4.221 5.059 ( 3.235 -7.109 -1.580) 7.969 5.158 ( -4.793 -6.710 0.590) 8.267 5.505 ( 1.365 3.025 -0.976) 3.460 5.574 ( -4.744 0.523 -0.364) 4.787 5.773 ( 3.349 2.213 0.533) 4.049 5.810 ( 0.394 3.642 -1.978) 4.163 5.998 ( 0.370 7.768 0.151) 7.778 6.007 ( 2.195 3.761 -0.204) 4.359 6.062 ( -3.610 4.846 -0.061) 6.043 6.107 ( -3.542 4.390 -0.483) 5.661 6.280 ( 5.252 4.921 1.073) 7.276 6.376 ( -3.159 3.952 -1.277) 5.219 6.546 ( 0.931 3.956 -5.198) 6.599 6.565 ( -1.210 0.589 -5.598) 5.758 6.628 ( 2.427 7.009 -7.855) 10.804 6.698 ( -4.443 8.795 -8.036) 12.715 7.074 ( 6.401 12.478 5.635) 15.113 7.173 ( -1.593 14.575 3.520) 15.079 7.306 ( 0.568 8.681 1.669) 8.859 7.354 ( -2.263 8.693 2.460) 9.313 7.822 ( 4.693 0.809 5.224) 7.069 7.909 ( -3.952 -2.900 3.353) 5.939 8.055 ( 1.557 -2.498 0.456) 2.979 8.087 ( -1.353 -3.700 -0.620) 3.988 8.278 ( 5.194 -0.443 2.172) 5.647 8.393 ( -7.006 0.489 0.264) 7.028 8.569 ( 0.560 2.306 5.513) 6.002 8.619 ( -4.210 1.818 6.250) 7.752 8.727 ( 1.901 -20.953 -13.006) 24.734 8.770 ( -2.272 -18.240 -11.841) 21.865 8.888 ( 1.309 -4.393 -4.225) 6.234 8.919 ( -1.120 -5.895 -6.001) 8.487 9.314 ( 10.895 1.719 -1.046) 11.079 9.443 ( 0.363 3.059 -5.576) 6.371 9.608 ( 2.155 -0.958 -0.216) 2.369 9.653 ( -0.310 0.544 -2.767) 2.837 10.095 ( 9.569 5.182 8.725) 13.948 10.303 ( -6.874 2.431 11.264) 13.418 10.397 ( 4.182 3.731 4.477) 7.174 10.504 ( 4.890 0.558 -3.186) 5.863 10.634 ( -3.125 1.550 1.985) 4.013 10.770 ( -9.373 -5.489 -1.264) 10.935 10.944 ( 3.046 0.922 -2.763) 4.215 11.112 ( -11.027 0.601 -1.369) 11.128 11.757 ( 1.758 0.723 8.531) 8.740 11.794 ( -2.996 1.715 11.393) 11.904 11.998 ( 4.768 -2.491 -0.212) 5.384 12.137 ( -8.911 -1.378 -0.707) 9.045 12.651 ( 3.796 1.741 -2.000) 4.630 12.710 ( -2.548 -0.606 -0.532) 2.672 13.067 ( 2.661 -4.344 -6.535) 8.286 13.082 ( 0.864 -2.620 -7.650) 8.132 14.137 ( 5.881 -3.230 -1.726) 6.928 14.251 ( -5.726 -4.842 -4.196) 8.593 14.638 ( 2.353 -11.377 -12.207) 16.852 14.666 ( -0.608 -12.319 -10.716) 16.339 15.174 ( 2.620 9.975 13.424) 16.929 15.231 ( -3.292 8.170 13.762) 16.339 15.601 ( 1.866 2.711 -0.426) 3.318 15.631 ( -1.223 2.414 0.405) 2.736 17.446 ( 1.549 0.748 3.595) 3.986 17.481 ( -2.065 1.450 3.975) 4.708 17.691 ( 2.089 5.258 -5.909) 8.181 17.731 ( -2.005 5.675 -5.159) 7.927 18.029 ( 2.581 -11.762 5.865) 13.394 18.076 ( -2.337 -10.982 7.399) 13.447 18.302 ( 3.409 -10.424 -4.543) 11.871 18.376 ( -4.092 -9.410 -4.216) 11.094 20.009 ( 5.792 -14.554 1.413) 15.728 20.099 ( -1.242 -15.333 -2.045) 15.519 20.194 ( -1.032 -16.931 1.341) 17.016 20.247 ( -4.240 -17.253 -0.792) 17.784 24.107 ( 1.661 13.370 0.224) 13.474 24.120 ( 1.195 13.425 -0.283) 13.481 24.149 ( 0.273 13.038 0.834) 13.067 24.184 ( -2.267 11.901 -0.493) 12.125 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 0.000 11.345 -0.457) 11.354 3.327 ( 0.000 11.755 -2.381) 11.994 3.417 ( 0.000 7.346 0.703) 7.380 3.447 ( 0.000 3.128 -1.632) 3.528 3.488 ( 0.000 7.143 3.347) 7.889 3.568 ( 0.000 7.827 0.962) 7.886 3.699 ( 0.000 15.493 -3.154) 15.811 3.701 ( 0.000 18.026 -2.297) 18.171 3.827 ( 0.000 4.045 -0.765) 4.116 3.950 ( 0.000 0.724 -6.924) 6.962 4.153 ( 0.000 -3.349 12.010) 12.468 4.320 ( 0.000 7.258 10.833) 13.039 4.344 ( 0.000 0.194 4.577) 4.582 4.354 ( 0.000 9.317 2.508) 9.648 4.405 ( 0.000 5.720 9.972) 11.496 4.421 ( 0.000 -4.775 2.575) 5.425 4.522 ( 0.000 4.717 0.118) 4.719 4.558 ( 0.000 -1.054 -0.989) 1.446 4.731 ( 0.000 -7.255 3.192) 7.926 4.789 ( 0.000 -5.990 -0.157) 5.992 5.037 ( 0.000 3.913 -12.870) 13.452 5.052 ( 0.000 -2.991 -10.690) 11.101 5.418 ( 0.000 -6.035 5.408) 8.103 5.607 ( 0.000 -5.989 -4.729) 7.631 5.794 ( 0.000 4.699 2.268) 5.217 5.899 ( 0.000 0.023 -0.681) 0.682 6.010 ( 0.000 8.417 5.461) 10.033 6.051 ( 0.000 3.091 -1.420) 3.402 6.111 ( 0.000 3.574 3.390) 4.926 6.264 ( 0.000 -2.559 -3.096) 4.016 6.356 ( 0.000 -10.102 2.148) 10.328 6.360 ( 0.000 0.227 6.706) 6.710 6.684 ( 0.000 8.009 5.176) 9.536 6.687 ( 0.000 5.797 -2.890) 6.477 6.893 ( 0.000 13.493 -10.345) 17.002 7.006 ( 0.000 9.827 1.990) 10.027 7.088 ( 0.000 4.639 -10.116) 11.129 7.130 ( 0.000 8.372 -2.369) 8.701 7.480 ( 0.000 5.021 5.358) 7.343 7.614 ( 0.000 6.942 6.236) 9.332 7.784 ( 0.000 -4.272 -1.554) 4.546 7.857 ( 0.000 -10.259 -4.298) 11.123 7.876 ( 0.000 -2.518 2.504) 3.551 8.066 ( 0.000 -9.626 -9.417) 13.466 8.206 ( 0.000 8.245 -1.853) 8.451 8.295 ( 0.000 -5.236 -3.582) 6.344 8.576 ( 0.000 -7.000 -2.380) 7.393 8.587 ( 0.000 -0.759 -3.998) 4.070 8.652 ( 0.000 -6.045 -2.189) 6.429 8.741 ( 0.000 -3.462 -6.655) 7.502 8.881 ( 0.000 2.695 3.119) 4.122 8.898 ( 0.000 1.173 1.223) 1.695 9.149 ( 0.000 9.918 6.404) 11.806 9.316 ( 0.000 3.954 -0.335) 3.968 9.482 ( 0.000 -1.141 0.173) 1.154 9.518 ( 0.000 0.444 -0.261) 0.515 10.142 ( 0.000 0.251 0.944) 0.977 10.158 ( 0.000 1.390 6.100) 6.257 10.437 ( 0.000 -3.071 -6.261) 6.973 10.489 ( 0.000 -1.037 2.676) 2.870 10.542 ( 0.000 3.135 3.111) 4.416 10.937 ( 0.000 -8.671 -5.174) 10.097 11.185 ( 0.000 4.765 6.757) 8.268 11.382 ( 0.000 -1.166 -3.433) 3.625 11.760 ( 0.000 9.156 10.041) 13.589 12.012 ( 0.000 4.575 15.284) 15.955 12.012 ( 0.000 -0.767 -1.027) 1.282 12.298 ( 0.000 -8.662 1.707) 8.829 12.641 ( 0.000 4.377 -1.374) 4.588 12.728 ( 0.000 1.322 3.743) 3.970 12.731 ( 0.000 -7.144 1.802) 7.368 12.977 ( 0.000 -3.906 -0.546) 3.943 14.023 ( 0.000 3.740 -8.374) 9.171 14.310 ( 0.000 -2.036 -11.809) 11.983 14.355 ( 0.000 -10.510 -14.490) 17.900 14.438 ( 0.000 -9.134 -10.990) 14.291 15.341 ( 0.000 10.698 9.142) 14.072 15.436 ( 0.000 6.830 10.135) 12.221 15.587 ( 0.000 -0.327 -1.432) 1.469 15.646 ( 0.000 -2.767 1.099) 2.978 17.455 ( 0.000 3.812 4.705) 6.055 17.587 ( 0.000 2.122 5.658) 6.042 17.665 ( 0.000 -4.480 -1.104) 4.614 17.721 ( 0.000 -5.983 1.488) 6.165 17.953 ( 0.000 3.441 0.863) 3.547 18.024 ( 0.000 2.362 1.501) 2.799 18.058 ( 0.000 -5.703 -4.495) 7.262 18.305 ( 0.000 -8.267 -4.696) 9.507 19.686 ( 0.000 -6.004 1.464) 6.180 19.782 ( 0.000 -10.475 -2.073) 10.678 20.036 ( 0.000 -10.875 0.455) 10.884 20.048 ( 0.000 -11.476 -0.040) 11.476 24.265 ( 0.000 7.298 0.131) 7.299 24.275 ( 0.000 6.676 -0.260) 6.681 24.357 ( 0.000 6.989 0.728) 7.027 24.385 ( 0.000 5.255 -0.328) 5.265 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 0.646 11.571 0.102) 11.589 3.300 ( -2.114 9.247 -0.790) 9.518 3.398 ( -1.787 11.626 1.435) 11.849 3.434 ( 0.245 10.881 1.673) 11.011 3.496 ( -1.154 8.371 -1.266) 8.544 3.578 ( 0.208 6.145 -3.898) 7.280 3.644 ( -3.919 14.928 0.279) 15.436 3.699 ( -1.115 15.662 -4.680) 16.384 3.875 ( 5.172 0.859 -1.252) 5.390 4.005 ( 4.741 -1.703 -6.214) 8.000 4.139 ( -1.514 -2.513 7.853) 8.384 4.248 ( -4.754 2.468 0.978) 5.445 4.334 ( 1.000 6.260 9.900) 11.756 4.357 ( -0.076 4.196 6.472) 7.713 4.441 ( 2.357 -2.507 5.717) 6.673 4.486 ( 1.002 2.341 2.299) 3.431 4.526 ( 2.635 3.723 8.157) 9.346 4.603 ( 4.551 0.425 2.492) 5.206 4.679 ( -4.165 -5.024 2.171) 6.878 4.778 ( -0.730 -6.638 -0.844) 6.731 5.000 ( -2.092 2.639 -10.290) 10.827 5.111 ( 3.159 1.077 -8.396) 9.035 5.413 ( -0.573 -8.731 4.676) 9.921 5.588 ( -1.420 -6.255 -4.235) 7.686 5.800 ( 0.277 5.334 1.366) 5.513 5.883 ( -2.047 4.395 -0.242) 4.854 6.037 ( 3.466 7.373 4.153) 9.145 6.073 ( 1.280 3.318 0.318) 3.571 6.122 ( 1.918 1.253 1.851) 2.946 6.243 ( -2.929 -0.700 -2.186) 3.722 6.317 ( -2.961 -1.809 3.783) 5.134 6.364 ( -0.322 -9.549 1.899) 9.741 6.648 ( -2.721 7.903 3.156) 8.934 6.683 ( 0.385 5.569 -3.157) 6.413 6.803 ( -5.002 11.183 -5.391) 13.384 6.967 ( -6.589 4.877 -6.159) 10.253 7.142 ( 9.361 11.605 -1.460) 14.981 7.268 ( 8.250 7.062 -3.719) 11.479 7.485 ( 0.175 4.902 3.943) 6.293 7.586 ( -3.042 8.158 5.264) 10.174 7.777 ( -0.350 -5.232 -1.245) 5.389 7.851 ( -1.103 -2.727 0.026) 2.942 7.893 ( 1.782 -9.624 -2.888) 10.204 8.027 ( -2.926 -8.183 -7.741) 11.638 8.266 ( 4.911 5.453 -2.388) 7.717 8.312 ( 1.864 -4.589 -4.066) 6.408 8.539 ( -4.092 -0.811 -2.653) 4.944 8.554 ( -2.126 -4.605 -2.240) 5.545 8.634 ( -1.445 -2.110 -0.634) 2.634 8.748 ( -0.183 -3.735 -4.313) 5.709 8.830 ( -3.370 1.423 2.149) 4.242 8.884 ( -1.876 -1.535 -0.487) 2.472 9.228 ( 7.910 9.100 4.647) 12.921 9.415 ( 7.975 2.980 -0.916) 8.563 9.532 ( 4.379 -0.093 -0.013) 4.380 9.599 ( 6.503 0.284 -1.494) 6.678 10.120 ( 0.139 4.191 4.314) 6.016 10.218 ( 5.813 -0.978 5.666) 8.176 10.417 ( -2.054 -1.784 1.249) 2.993 10.500 ( -2.073 1.174 1.821) 2.999 10.556 ( 5.144 -1.164 -4.028) 6.636 10.882 ( -5.480 -7.115 -6.740) 11.229 11.102 ( -8.961 5.352 6.447) 12.269 11.321 ( -7.899 -1.593 -3.083) 8.628 11.747 ( 0.036 5.546 10.202) 11.612 11.941 ( -4.323 -0.079 2.893) 5.202 11.961 ( -4.903 2.817 12.329) 13.564 12.218 ( -7.072 -7.405 2.479) 10.536 12.681 ( 3.061 5.277 -0.318) 6.109 12.728 ( 0.959 2.432 2.653) 3.725 12.835 ( 7.642 -6.879 1.090) 10.340 12.995 ( 1.493 -4.454 -0.847) 4.773 14.049 ( 2.719 3.296 -8.502) 9.515 14.275 ( -3.022 -1.362 -11.608) 12.072 14.379 ( 1.846 -10.816 -13.685) 17.541 14.442 ( 0.204 -9.638 -11.381) 14.915 15.349 ( 0.861 10.501 9.092) 13.917 15.426 ( -1.017 7.474 9.724) 12.307 15.596 ( 0.868 -0.769 -0.925) 1.483 15.643 ( -0.349 -2.619 0.972) 2.815 17.464 ( 0.917 3.735 4.865) 6.202 17.566 ( -1.865 2.331 5.588) 6.336 17.675 ( 0.959 -4.630 -0.965) 4.826 17.721 ( -0.095 -6.302 1.420) 6.460 17.955 ( 0.302 3.551 0.730) 3.638 18.013 ( -1.022 2.525 1.350) 3.041 18.082 ( 2.393 -5.738 -4.433) 7.636 18.281 ( -2.475 -7.886 -4.663) 9.490 19.715 ( 3.023 -6.349 1.352) 7.160 19.806 ( 2.361 -10.431 -1.999) 10.880 19.997 ( -3.634 -10.367 0.801) 11.015 20.026 ( -2.441 -11.571 -0.327) 11.830 24.277 ( 1.146 7.133 0.152) 7.226 24.287 ( 1.237 6.652 -0.268) 6.771 24.352 ( -0.589 6.898 0.683) 6.957 24.377 ( -0.826 5.375 -0.295) 5.446 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 0.879 12.061 0.573) 12.107 3.314 ( 0.343 13.316 1.223) 13.376 3.352 ( -0.033 11.785 0.693) 11.806 3.426 ( -4.229 14.096 -0.910) 14.745 3.481 ( 1.716 9.714 0.509) 9.877 3.529 ( -3.370 12.687 0.295) 13.130 3.623 ( 1.094 9.940 -6.355) 11.849 3.661 ( -2.497 13.609 -6.844) 15.436 3.998 ( 6.636 -3.750 -1.153) 7.710 4.095 ( -2.777 -2.686 2.989) 4.885 4.101 ( 4.144 -3.352 -5.413) 7.596 4.175 ( -3.357 -0.661 -1.311) 3.664 4.349 ( 0.277 4.858 9.329) 10.522 4.358 ( -0.146 1.574 7.447) 7.613 4.474 ( 1.334 -0.393 5.355) 5.532 4.508 ( 0.945 -2.831 9.106) 9.583 4.537 ( 0.200 3.132 2.716) 4.151 4.592 ( -3.565 -1.231 5.087) 6.332 4.733 ( 5.372 0.918 3.516) 6.486 4.777 ( 0.155 -5.682 -1.239) 5.817 4.987 ( 2.458 5.444 -3.548) 6.947 5.093 ( -5.574 3.804 -0.794) 6.795 5.444 ( 4.587 -10.296 -0.709) 11.293 5.540 ( -4.197 -8.071 -3.328) 9.686 5.808 ( 0.810 5.950 0.660) 6.041 5.837 ( -2.225 7.254 0.554) 7.607 6.090 ( 1.569 3.517 0.842) 3.942 6.126 ( 4.509 4.943 1.379) 6.831 6.147 ( -3.704 3.233 1.510) 5.143 6.174 ( -0.315 0.637 -1.857) 1.988 6.284 ( 0.163 -4.070 1.619) 4.383 6.328 ( -3.214 -8.365 0.369) 8.969 6.634 ( 1.693 7.828 0.812) 8.050 6.688 ( -2.432 8.960 -2.213) 9.545 6.757 ( 2.468 4.256 -4.147) 6.434 6.848 ( -5.898 4.041 -5.895) 9.267 7.317 ( 8.658 11.537 0.260) 14.427 7.404 ( 4.754 8.080 -0.492) 9.387 7.463 ( -2.826 6.617 0.382) 7.205 7.508 ( -4.250 7.684 2.805) 9.218 7.782 ( 1.062 -4.955 -0.599) 5.103 7.816 ( -2.205 -2.893 -0.175) 3.641 7.933 ( 2.207 -10.728 -4.844) 11.976 7.976 ( -2.433 -9.504 -6.010) 11.505 8.352 ( 3.558 3.836 -2.492) 5.796 8.371 ( 3.476 -2.524 -4.862) 6.488 8.461 ( -2.806 0.684 -2.045) 3.539 8.496 ( -3.998 -3.689 -2.822) 6.128 8.632 ( 1.878 2.106 3.403) 4.421 8.698 ( -4.329 2.580 4.350) 6.657 8.809 ( 1.259 -5.578 -3.819) 6.876 8.846 ( -2.173 -4.720 -3.136) 6.069 9.398 ( 8.884 6.696 2.263) 11.353 9.517 ( -1.388 4.852 -1.697) 5.324 9.606 ( 5.143 -0.585 0.336) 5.187 9.673 ( -0.104 0.153 -2.848) 2.854 10.192 ( 6.773 5.451 6.183) 10.668 10.326 ( -6.593 1.474 7.536) 10.121 10.404 ( 12.996 -3.131 4.059) 13.971 10.537 ( 6.378 3.432 -3.594) 8.085 10.631 ( -2.133 -5.900 -2.200) 6.649 10.753 ( -8.326 5.572 -0.801) 10.051 10.911 ( -3.532 -3.182 -1.707) 5.051 11.084 ( -14.744 -3.934 -2.846) 15.523 11.782 ( 3.165 3.033 10.379) 11.267 11.859 ( -4.909 4.219 11.886) 13.534 11.939 ( 4.105 -3.489 3.849) 6.621 12.066 ( -8.205 -5.304 3.740) 10.462 12.730 ( 1.776 5.654 1.113) 6.030 12.744 ( 0.287 4.291 1.872) 4.691 12.960 ( 4.795 -6.303 -0.544) 7.939 13.009 ( -0.557 -5.458 -1.106) 5.596 14.119 ( 4.377 2.064 -9.095) 10.302 14.204 ( -4.316 0.384 -10.312) 11.185 14.414 ( 1.735 -11.222 -12.880) 17.170 14.438 ( -0.707 -10.668 -12.100) 16.147 15.372 ( 1.451 9.856 9.032) 13.447 15.401 ( -1.519 8.751 9.194) 12.784 15.615 ( 1.046 -1.569 -0.076) 1.888 15.633 ( -0.753 -2.210 0.581) 2.406 17.489 ( 1.701 3.470 5.218) 6.493 17.526 ( -2.144 2.957 5.502) 6.604 17.696 ( 1.083 -5.430 -0.314) 5.546 17.713 ( -0.713 -6.263 0.744) 6.347 17.967 ( 0.951 3.465 0.723) 3.665 17.990 ( -1.350 3.025 0.990) 3.458 18.142 ( 3.824 -6.174 -4.452) 8.518 18.218 ( -3.894 -7.010 -4.568) 9.229 19.793 ( 4.881 -7.194 0.925) 8.743 19.858 ( 1.442 -9.246 -1.659) 9.503 19.919 ( -2.786 -10.533 1.197) 10.960 19.962 ( -3.966 -11.562 -0.602) 12.238 24.304 ( 1.485 6.960 0.202) 7.119 24.315 ( 1.263 6.670 -0.319) 6.796 24.337 ( -0.654 6.471 0.570) 6.529 24.355 ( -1.499 5.700 -0.177) 5.897 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 0.000 -0.996 -0.267) 1.031 3.392 ( 0.000 0.996 -0.267) 1.032 3.506 ( 0.000 -0.879 -1.149) 1.447 3.506 ( 0.000 0.879 -1.149) 1.447 3.598 ( 0.000 -3.531 1.946) 4.032 3.598 ( 0.000 3.531 1.946) 4.032 3.915 ( 0.000 -4.113 -2.654) 4.895 3.915 ( 0.000 4.113 -2.654) 4.895 3.917 ( 0.000 -3.364 -2.376) 4.118 3.917 ( 0.000 3.364 -2.376) 4.118 4.172 ( 0.000 -11.019 6.181) 12.634 4.172 ( 0.000 11.019 6.181) 12.634 4.406 ( 0.000 -2.591 6.175) 6.697 4.406 ( 0.000 2.591 6.175) 6.697 4.514 ( 0.000 -2.256 3.143) 3.869 4.514 ( 0.000 2.256 3.143) 3.869 4.540 ( 0.000 -0.049 4.468) 4.469 4.540 ( 0.000 0.049 4.468) 4.469 4.629 ( 0.000 -5.222 0.479) 5.244 4.629 ( 0.000 5.222 0.479) 5.244 5.042 ( 0.000 -1.929 -9.549) 9.742 5.042 ( 0.000 1.929 -9.549) 9.742 5.471 ( 0.000 -7.726 -5.707) 9.606 5.471 ( 0.000 7.727 -5.707) 9.606 5.860 ( 0.000 -2.743 4.407) 5.191 5.860 ( 0.000 2.743 4.407) 5.191 6.110 ( 0.000 -0.688 0.547) 0.879 6.110 ( 0.000 0.688 0.547) 0.879 6.193 ( 0.000 -5.515 4.677) 7.232 6.193 ( 0.000 5.516 4.677) 7.232 6.276 ( 0.000 -4.898 2.426) 5.466 6.276 ( 0.000 4.898 2.426) 5.466 6.764 ( 0.000 -0.378 3.682) 3.701 6.764 ( 0.000 0.378 3.682) 3.701 7.074 ( 0.000 -4.731 -8.009) 9.302 7.074 ( 0.000 4.731 -8.009) 9.302 7.183 ( 0.000 -4.067 -4.296) 5.916 7.183 ( 0.000 4.068 -4.296) 5.916 7.588 ( 0.000 -6.648 -0.481) 6.665 7.588 ( 0.000 6.648 -0.481) 6.666 7.743 ( 0.000 -2.334 0.166) 2.340 7.743 ( 0.000 2.334 0.167) 2.340 7.884 ( 0.000 -3.011 -3.374) 4.522 7.884 ( 0.000 3.012 -3.374) 4.523 8.312 ( 0.000 -0.194 -3.314) 3.319 8.312 ( 0.000 0.195 -3.314) 3.319 8.552 ( 0.000 -2.969 -0.929) 3.111 8.552 ( 0.000 2.969 -0.929) 3.111 8.633 ( 0.000 -5.838 -5.180) 7.804 8.633 ( 0.000 5.838 -5.180) 7.805 8.905 ( 0.000 -0.225 2.620) 2.629 8.905 ( 0.000 0.225 2.620) 2.629 9.314 ( 0.000 -5.355 3.783) 6.556 9.314 ( 0.000 5.355 3.783) 6.557 9.493 ( 0.000 -2.294 -0.447) 2.337 9.493 ( 0.000 2.294 -0.447) 2.337 10.162 ( 0.000 -1.082 3.294) 3.467 10.162 ( 0.000 1.082 3.294) 3.467 10.421 ( 0.000 -1.994 0.950) 2.208 10.421 ( 0.000 1.994 0.950) 2.208 10.720 ( 0.000 -11.618 -5.433) 12.825 10.720 ( 0.000 11.618 -5.433) 12.825 11.300 ( 0.000 -5.963 2.902) 6.632 11.300 ( 0.000 5.963 2.902) 6.632 11.953 ( 0.000 -7.301 7.657) 10.580 11.953 ( 0.000 7.301 7.657) 10.580 12.116 ( 0.000 -7.757 7.667) 10.906 12.116 ( 0.000 7.757 7.667) 10.906 12.654 ( 0.000 -1.172 0.490) 1.270 12.654 ( 0.000 1.172 0.490) 1.270 12.857 ( 0.000 -7.840 3.505) 8.588 12.857 ( 0.000 7.840 3.505) 8.588 14.156 ( 0.000 -9.397 -13.258) 16.251 14.156 ( 0.000 9.398 -13.258) 16.251 14.319 ( 0.000 -3.202 -12.044) 12.462 14.319 ( 0.000 3.202 -12.044) 12.462 15.516 ( 0.000 -6.908 3.421) 7.709 15.516 ( 0.000 6.908 3.421) 7.709 15.561 ( 0.000 -5.658 4.035) 6.949 15.561 ( 0.000 5.658 4.035) 6.950 17.553 ( 0.000 -5.840 3.739) 6.934 17.553 ( 0.000 5.840 3.739) 6.934 17.629 ( 0.000 -3.198 5.066) 5.991 17.629 ( 0.000 3.198 5.066) 5.991 17.993 ( 0.000 -2.098 -1.809) 2.771 17.993 ( 0.000 2.098 -1.809) 2.771 18.151 ( 0.000 -7.763 -4.540) 8.993 18.151 ( 0.000 7.764 -4.540) 8.993 19.653 ( 0.000 -2.640 -0.106) 2.642 19.653 ( 0.000 2.640 -0.106) 2.642 19.929 ( 0.000 -0.329 0.044) 0.332 19.929 ( 0.000 0.329 0.044) 0.332 24.337 ( 0.000 -0.209 -0.006) 0.209 24.337 ( 0.000 0.209 -0.006) 0.209 24.430 ( 0.000 -0.651 0.140) 0.666 24.430 ( 0.000 0.651 0.140) 0.666 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 1.073 -1.300 -0.865) 1.895 3.401 ( 1.073 1.300 -0.865) 1.895 3.527 ( 1.083 -1.394 0.669) 1.887 3.527 ( 1.083 1.394 0.669) 1.887 3.595 ( 0.651 -3.373 0.243) 3.444 3.595 ( 0.651 3.373 0.243) 3.444 3.872 ( -3.946 -2.931 -3.146) 5.836 3.872 ( -3.946 2.931 -3.146) 5.836 3.939 ( 1.802 -2.752 -2.925) 4.402 3.939 ( 1.802 2.752 -2.925) 4.402 4.148 ( -2.766 -7.960 4.219) 9.424 4.148 ( -2.766 7.960 4.219) 9.424 4.418 ( 1.007 -0.960 7.240) 7.373 4.418 ( 1.007 0.960 7.240) 7.373 4.452 ( -2.282 -5.299 3.569) 6.784 4.452 ( -2.282 5.299 3.569) 6.784 4.592 ( 0.742 -2.683 2.079) 3.474 4.592 ( 0.742 2.683 2.079) 3.474 4.637 ( 1.994 -5.647 3.845) 7.117 4.637 ( 1.994 5.647 3.845) 7.117 5.079 ( 3.789 -5.627 -7.870) 10.390 5.079 ( 3.789 5.627 -7.870) 10.390 5.425 ( -4.410 -8.799 -3.452) 10.430 5.425 ( -4.410 8.799 -3.452) 10.430 5.905 ( 3.846 -3.923 1.616) 5.727 5.905 ( 3.846 3.923 1.616) 5.727 6.129 ( 1.452 -0.925 2.765) 3.257 6.129 ( 1.452 0.926 2.765) 3.257 6.172 ( -2.317 -4.977 3.303) 6.407 6.172 ( -2.317 4.977 3.303) 6.407 6.258 ( -1.486 -2.542 1.624) 3.362 6.258 ( -1.486 2.542 1.624) 3.362 6.738 ( -1.500 -0.766 2.101) 2.692 6.738 ( -1.500 0.766 2.101) 2.692 6.968 ( -6.842 -4.825 -5.911) 10.249 6.968 ( -6.842 4.825 -5.911) 10.249 7.311 ( 8.821 -4.001 -4.511) 10.685 7.311 ( 8.821 4.001 -4.511) 10.685 7.591 ( 0.068 -6.132 -0.773) 6.181 7.591 ( 0.068 6.133 -0.773) 6.181 7.747 ( 0.346 -3.152 -0.776) 3.265 7.747 ( 0.346 3.152 -0.776) 3.265 7.858 ( -2.559 -2.528 -3.768) 5.209 7.858 ( -2.559 2.528 -3.768) 5.209 8.338 ( 2.621 -0.858 -2.785) 3.920 8.338 ( 2.621 0.859 -2.785) 3.920 8.535 ( -1.990 -2.478 -1.452) 3.494 8.535 ( -1.990 2.478 -1.452) 3.494 8.637 ( 0.923 -5.383 -3.552) 6.515 8.637 ( 0.923 5.383 -3.552) 6.515 8.858 ( -4.286 -1.127 2.981) 5.341 8.858 ( -4.286 1.127 2.981) 5.341 9.388 ( 6.906 -6.005 3.132) 9.673 9.388 ( 6.906 6.006 3.132) 9.673 9.568 ( 5.993 -3.060 -1.788) 6.963 9.568 ( 5.993 3.060 -1.788) 6.963 10.192 ( 3.642 -2.583 5.674) 7.220 10.192 ( 3.642 2.583 5.674) 7.220 10.423 ( 0.577 -3.515 0.175) 3.566 10.423 ( 0.577 3.515 0.175) 3.566 10.693 ( -2.206 -10.335 -6.551) 12.433 10.693 ( -2.206 10.335 -6.551) 12.433 11.230 ( -8.589 -6.663 2.653) 11.189 11.230 ( -8.589 6.663 2.653) 11.189 11.877 ( -4.653 -5.752 7.822) 10.766 11.877 ( -4.653 5.752 7.822) 10.767 12.066 ( -4.857 -7.136 7.905) 11.705 12.066 ( -4.857 7.136 7.905) 11.705 12.731 ( 6.280 -3.190 1.038) 7.120 12.731 ( 6.280 3.190 1.038) 7.120 12.870 ( 0.982 -7.942 3.295) 8.654 12.870 ( 0.982 7.942 3.295) 8.654 14.175 ( 1.871 -9.030 -13.133) 16.047 14.175 ( 1.871 9.030 -13.133) 16.047 14.307 ( -1.269 -4.124 -12.160) 12.903 14.307 ( -1.269 4.125 -12.160) 12.903 15.521 ( 0.550 -6.815 3.487) 7.675 15.521 ( 0.550 6.815 3.487) 7.675 15.559 ( -0.311 -5.793 3.985) 7.038 15.559 ( -0.311 5.793 3.985) 7.038 17.559 ( 0.640 -5.677 3.950) 6.946 17.559 ( 0.640 5.677 3.950) 6.946 17.620 ( -0.852 -3.645 5.044) 6.281 17.620 ( -0.852 3.645 5.044) 6.281 18.007 ( 1.501 -2.777 -2.179) 3.836 18.007 ( 1.501 2.777 -2.179) 3.836 18.135 ( -1.596 -7.300 -4.355) 8.649 18.135 ( -1.596 7.300 -4.355) 8.649 19.678 ( 2.533 -2.503 -0.092) 3.562 19.678 ( 2.533 2.503 -0.092) 3.563 19.901 ( -2.839 -0.837 0.031) 2.960 19.901 ( -2.839 0.837 0.031) 2.960 24.348 ( 1.118 -0.279 0.008) 1.153 24.348 ( 1.118 0.280 0.008) 1.153 24.424 ( -0.703 -0.618 0.126) 0.945 24.424 ( -0.703 0.619 0.126) 0.945 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( 2.856 -2.266 -0.918) 3.760 3.438 ( 2.856 2.266 -0.918) 3.760 3.500 ( -3.175 -3.673 0.665) 4.900 3.500 ( -3.175 3.673 0.665) 4.900 3.661 ( 5.447 -6.458 -1.296) 8.547 3.661 ( 5.447 6.458 -1.296) 8.547 3.774 ( -5.971 -6.396 -2.325) 9.053 3.774 ( -5.971 6.396 -2.325) 9.054 3.990 ( 3.626 -4.575 -3.124) 6.621 3.990 ( 3.626 4.575 -3.124) 6.621 4.072 ( -4.694 -4.792 -0.818) 6.757 4.072 ( -4.694 4.792 -0.818) 6.757 4.426 ( 0.306 -2.665 7.052) 7.545 4.426 ( 0.306 2.664 7.052) 7.545 4.437 ( -0.490 -2.211 7.549) 7.881 4.437 ( -0.490 2.212 7.549) 7.881 4.618 ( 2.661 -6.549 1.285) 7.184 4.618 ( 2.661 6.549 1.285) 7.184 4.659 ( -0.677 -6.372 4.805) 8.009 4.659 ( -0.677 6.372 4.805) 8.009 5.181 ( 6.710 -10.471 -4.030) 13.073 5.181 ( 6.710 10.471 -4.030) 13.074 5.316 ( -6.858 -11.059 -1.882) 13.148 5.316 ( -6.858 11.059 -1.882) 13.148 5.981 ( 4.242 -4.168 -0.210) 5.950 5.981 ( 4.242 4.168 -0.210) 5.951 6.074 ( -5.435 -3.520 2.205) 6.841 6.074 ( -5.435 3.520 2.205) 6.841 6.187 ( 2.666 -0.947 2.174) 3.568 6.187 ( 2.666 0.947 2.174) 3.568 6.230 ( -1.695 -0.772 2.141) 2.838 6.230 ( -1.695 0.772 2.141) 2.838 6.750 ( 3.125 -3.019 -0.850) 4.427 6.750 ( 3.125 3.019 -0.850) 4.427 6.843 ( -6.125 -4.212 -3.569) 8.246 6.843 ( -6.125 4.212 -3.569) 8.246 7.471 ( 7.387 -2.586 -2.952) 8.365 7.471 ( 7.387 2.586 -2.952) 8.365 7.571 ( -2.856 -3.593 -1.318) 4.775 7.571 ( -2.856 3.593 -1.318) 4.775 7.759 ( 1.161 -4.099 -2.821) 5.109 7.759 ( 1.161 4.099 -2.821) 5.110 7.799 ( -3.071 -3.104 -4.207) 6.063 7.799 ( -3.071 3.105 -4.207) 6.064 8.403 ( 3.977 -1.448 -2.334) 4.833 8.403 ( 3.977 1.448 -2.334) 4.833 8.478 ( -3.728 -1.690 -2.237) 4.665 8.478 ( -3.728 1.691 -2.237) 4.665 8.680 ( 3.621 -3.948 -0.126) 5.359 8.680 ( 3.621 3.949 -0.126) 5.359 8.765 ( -5.046 -2.607 2.386) 6.161 8.765 ( -5.046 2.607 2.386) 6.161 9.533 ( 7.359 -5.999 1.579) 9.624 9.533 ( 7.359 5.999 1.579) 9.624 9.626 ( -1.284 -4.650 -1.273) 4.989 9.626 ( -1.284 4.650 -1.273) 4.989 10.312 ( 7.906 -5.832 4.190) 10.681 10.312 ( 7.906 5.832 4.190) 10.681 10.424 ( -2.481 -8.210 0.930) 8.627 10.424 ( -2.481 8.210 0.930) 8.627 10.709 ( 7.151 -7.591 -5.344) 11.718 10.709 ( 7.151 7.591 -5.344) 11.718 10.969 ( -16.939 -7.080 1.121) 18.393 10.969 ( -16.939 7.080 1.121) 18.393 11.862 ( 2.928 -4.435 8.308) 9.862 11.862 ( 2.928 4.435 8.308) 9.862 11.956 ( -6.097 -5.636 8.274) 11.722 11.956 ( -6.097 5.636 8.274) 11.722 12.835 ( 4.016 -5.953 1.836) 7.412 12.835 ( 4.016 5.953 1.836) 7.412 12.877 ( -0.597 -7.507 2.661) 7.987 12.877 ( -0.597 7.507 2.661) 7.987 14.221 ( 2.772 -7.860 -12.821) 15.292 14.221 ( 2.772 7.861 -12.821) 15.292 14.272 ( -2.391 -6.025 -12.455) 14.041 14.272 ( -2.391 6.026 -12.455) 14.041 15.535 ( 0.803 -6.535 3.654) 7.530 15.535 ( 0.803 6.535 3.654) 7.530 15.549 ( -0.656 -6.138 3.844) 7.272 15.549 ( -0.656 6.138 3.844) 7.272 17.576 ( 1.133 -5.206 4.428) 6.928 17.576 ( 1.133 5.206 4.428) 6.928 17.599 ( -1.261 -4.481 4.857) 6.728 17.599 ( -1.261 4.482 4.857) 6.728 18.046 ( 2.453 -4.345 -3.004) 5.824 18.046 ( 2.453 4.345 -3.004) 5.824 18.095 ( -2.512 -6.041 -3.816) 7.574 18.095 ( -2.512 6.041 -3.816) 7.574 19.744 ( 4.228 -2.114 -0.053) 4.728 19.744 ( 4.228 2.114 -0.053) 4.728 19.829 ( -4.418 -1.527 -0.006) 4.674 19.829 ( -4.418 1.527 -0.006) 4.674 24.375 ( 1.594 -0.408 0.045) 1.646 24.375 ( 1.594 0.408 0.045) 1.646 24.404 ( -1.338 -0.530 0.090) 1.442 24.404 ( -1.338 0.530 0.090) 1.442 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 0.000 -23.322) 23.322 1.143 ( 0.000 0.000 23.322) 23.322 1.529 ( 0.000 0.000 -29.310) 29.310 1.529 ( 0.000 0.000 29.310) 29.310 2.146 ( 0.000 0.000 -23.232) 23.232 2.146 ( 0.000 0.000 23.232) 23.232 2.393 ( 0.000 0.000 -9.223) 9.223 2.393 ( 0.000 0.000 9.223) 9.223 2.872 ( 0.000 0.000 -34.055) 34.055 2.872 ( 0.000 0.000 34.055) 34.055 3.205 ( 0.000 0.000 -8.150) 8.150 3.205 ( 0.000 0.000 8.150) 8.150 3.506 ( 0.000 0.000 -2.130) 2.130 3.506 ( 0.000 0.000 2.130) 2.130 3.754 ( 0.000 0.000 -0.874) 0.874 3.754 ( 0.000 0.000 0.874) 0.874 3.755 ( 0.000 0.000 -2.413) 2.413 3.755 ( 0.000 0.000 2.413) 2.413 3.910 ( 0.000 0.000 -5.281) 5.281 3.910 ( 0.000 0.000 5.281) 5.281 4.023 ( 0.000 0.000 -6.988) 6.988 4.023 ( 0.000 0.000 6.988) 6.988 4.509 ( 0.000 0.000 -3.262) 3.262 4.509 ( 0.000 0.000 3.262) 3.262 4.830 ( 0.000 0.000 -3.697) 3.697 4.830 ( 0.000 0.000 3.697) 3.697 5.393 ( 0.000 0.000 -11.700) 11.700 5.393 ( 0.000 0.000 11.700) 11.700 5.699 ( 0.000 0.000 -11.993) 11.993 5.699 ( 0.000 0.000 11.993) 11.993 5.902 ( 0.000 0.000 -2.370) 2.370 5.902 ( 0.000 0.000 2.370) 2.370 6.256 ( 0.000 0.000 -6.465) 6.465 6.256 ( 0.000 0.000 6.465) 6.465 6.869 ( 0.000 0.000 -1.237) 1.237 6.869 ( 0.000 0.000 1.237) 1.237 7.109 ( 0.000 0.000 -3.654) 3.654 7.109 ( 0.000 0.000 3.654) 3.654 7.393 ( 0.000 0.000 -14.641) 14.641 7.393 ( 0.000 0.000 14.641) 14.641 7.434 ( 0.000 0.000 -3.073) 3.073 7.434 ( 0.000 0.000 3.073) 3.073 7.642 ( 0.000 0.000 -4.136) 4.136 7.642 ( 0.000 0.000 4.136) 4.136 7.698 ( 0.000 0.000 -2.348) 2.348 7.698 ( 0.000 0.000 2.348) 2.348 8.499 ( 0.000 0.000 -5.522) 5.522 8.499 ( 0.000 0.000 5.522) 5.522 8.664 ( 0.000 0.000 -4.169) 4.169 8.664 ( 0.000 0.000 4.169) 4.169 9.415 ( 0.000 0.000 -6.586) 6.586 9.415 ( 0.000 0.000 6.586) 6.586 9.961 ( 0.000 0.000 -12.382) 12.382 9.961 ( 0.000 0.000 12.382) 12.382 10.630 ( 0.000 0.000 -18.367) 18.367 10.630 ( 0.000 0.000 18.367) 18.367 10.693 ( 0.000 0.000 -0.783) 0.783 10.693 ( 0.000 0.000 0.783) 0.783 10.844 ( 0.000 0.000 -15.215) 15.215 10.844 ( 0.000 0.000 15.215) 15.215 10.906 ( 0.000 0.000 -0.092) 0.092 10.906 ( 0.000 0.000 0.092) 0.092 11.208 ( 0.000 0.000 -5.578) 5.578 11.208 ( 0.000 0.000 5.578) 5.578 11.787 ( 0.000 0.000 -3.943) 3.943 11.787 ( 0.000 0.000 3.943) 3.943 12.578 ( 0.000 0.000 -24.126) 24.126 12.578 ( 0.000 0.000 24.126) 24.126 12.845 ( 0.000 0.000 -16.619) 16.619 12.845 ( 0.000 0.000 16.619) 16.619 12.885 ( 0.000 0.000 -15.863) 15.863 12.885 ( 0.000 0.000 15.863) 15.863 13.729 ( 0.000 0.000 -5.254) 5.254 13.729 ( 0.000 0.000 5.254) 5.254 14.553 ( 0.000 0.000 -2.497) 2.497 14.553 ( 0.000 0.000 2.497) 2.497 15.229 ( 0.000 0.000 -14.577) 14.577 15.229 ( 0.000 0.000 14.577) 14.577 15.440 ( 0.000 0.000 -11.227) 11.227 15.440 ( 0.000 0.000 11.227) 11.227 17.532 ( 0.000 0.000 -19.587) 19.587 17.532 ( 0.000 0.000 19.587) 19.587 18.723 ( 0.000 0.000 -2.513) 2.513 18.723 ( 0.000 0.000 2.513) 2.513 20.178 ( 0.000 0.000 -0.769) 0.769 20.178 ( 0.000 0.000 0.769) 0.769 20.297 ( 0.000 0.000 -0.817) 0.817 20.297 ( 0.000 0.000 0.817) 0.817 20.299 ( 0.000 0.000 -0.781) 0.781 20.299 ( 0.000 0.000 0.781) 0.781 20.899 ( 0.000 0.000 -1.591) 1.591 20.899 ( 0.000 0.000 1.591) 1.591 22.208 ( 0.000 0.000 -0.671) 0.671 22.208 ( 0.000 0.000 0.671) 0.671 22.472 ( 0.000 0.000 -4.009) 4.009 22.472 ( 0.000 0.000 4.009) 4.009 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 21.848 0.000 -17.976) 28.292 1.397 ( 21.848 0.000 17.976) 28.292 1.608 ( 7.920 0.000 -26.787) 27.933 1.608 ( 7.920 0.000 26.787) 27.933 2.142 ( -0.969 0.000 -16.776) 16.804 2.142 ( -0.969 0.000 16.776) 16.804 2.310 ( -8.338 0.000 -11.048) 13.841 2.310 ( -8.338 0.000 11.048) 13.841 2.782 ( -6.104 0.000 -30.834) 31.432 2.782 ( -6.104 0.000 30.834) 31.432 3.195 ( -1.245 0.000 -4.922) 5.077 3.195 ( -1.245 0.000 4.922) 5.077 3.438 ( -4.531 0.000 -2.101) 4.994 3.438 ( -4.531 0.000 2.101) 4.994 3.725 ( -3.268 0.000 -6.425) 7.209 3.725 ( -3.268 0.000 6.425) 7.209 3.854 ( 7.056 0.000 -1.236) 7.163 3.854 ( 7.056 0.000 1.236) 7.163 4.041 ( 2.338 0.000 -5.644) 6.109 4.041 ( 2.338 0.000 5.644) 6.109 4.052 ( 12.379 0.000 -5.695) 13.626 4.052 ( 12.379 0.000 5.695) 13.626 4.477 ( -3.240 0.000 -2.963) 4.390 4.477 ( -3.240 0.000 2.963) 4.390 4.763 ( -6.193 0.000 -1.089) 6.288 4.763 ( -6.193 0.000 1.089) 6.288 5.158 ( -17.529 0.000 -11.060) 20.726 5.158 ( -17.529 0.000 11.060) 20.726 5.724 ( 3.128 0.000 -6.059) 6.818 5.724 ( 3.128 0.000 6.059) 6.818 5.965 ( 0.172 0.000 -6.402) 6.404 5.965 ( 0.172 0.000 6.402) 6.404 6.361 ( 9.838 0.000 -2.109) 10.061 6.361 ( 9.838 0.000 2.109) 10.061 6.924 ( 4.867 0.000 -1.967) 5.249 6.924 ( 4.867 0.000 1.967) 5.249 7.119 ( 0.956 0.000 -3.148) 3.290 7.119 ( 0.956 0.000 3.148) 3.290 7.427 ( -0.693 0.000 -2.751) 2.837 7.427 ( -0.693 0.000 2.751) 2.837 7.444 ( 4.641 0.000 -11.485) 12.387 7.444 ( 4.641 0.000 11.485) 12.387 7.635 ( -1.482 0.000 -3.084) 3.421 7.635 ( -1.482 0.000 3.084) 3.421 7.708 ( 0.900 0.000 -1.855) 2.062 7.708 ( 0.900 0.000 1.855) 2.062 8.503 ( 2.917 0.000 -1.846) 3.452 8.503 ( 2.917 0.000 1.846) 3.452 8.646 ( -1.656 0.000 -3.376) 3.760 8.646 ( -1.656 0.000 3.376) 3.760 9.279 ( -12.304 0.000 -9.631) 15.625 9.279 ( -12.304 0.000 9.631) 15.625 10.047 ( 6.968 0.000 -7.834) 10.484 10.047 ( 6.968 0.000 7.834) 10.484 10.617 ( -7.336 0.000 -1.532) 7.494 10.617 ( -7.336 0.000 1.532) 7.494 10.653 ( 2.288 0.000 -17.799) 17.946 10.653 ( 2.288 0.000 17.799) 17.946 10.827 ( -1.734 0.000 -15.282) 15.380 10.827 ( -1.734 0.000 15.282) 15.380 10.999 ( 8.634 0.000 -0.440) 8.646 10.999 ( 8.634 0.000 0.440) 8.646 11.280 ( 6.182 0.000 -6.051) 8.651 11.280 ( 6.182 0.000 6.051) 8.651 11.745 ( -3.612 0.000 -5.739) 6.781 11.745 ( -3.612 0.000 5.739) 6.781 12.455 ( -11.112 0.000 -18.896) 21.921 12.455 ( -11.112 0.000 18.896) 21.921 12.849 ( 0.382 0.000 -16.457) 16.462 12.849 ( 0.382 0.000 16.457) 16.462 12.882 ( -0.376 0.000 -15.845) 15.850 12.882 ( -0.376 0.000 15.845) 15.850 13.797 ( 6.233 0.000 -6.652) 9.116 13.797 ( 6.233 0.000 6.652) 9.116 14.532 ( -2.425 0.000 -2.910) 3.788 14.532 ( -2.425 0.000 2.910) 3.788 15.257 ( 2.617 0.000 -13.199) 13.456 15.257 ( 2.617 0.000 13.199) 13.456 15.448 ( 0.772 0.000 -10.360) 10.389 15.448 ( 0.772 0.000 10.360) 10.389 17.539 ( 0.840 0.000 -16.903) 16.924 17.539 ( 0.840 0.000 16.903) 16.924 18.609 ( -10.374 0.000 -6.487) 12.235 18.609 ( -10.374 0.000 6.487) 12.235 20.155 ( -0.571 0.000 -2.556) 2.619 20.155 ( -0.571 0.000 2.556) 2.619 20.296 ( -0.032 0.000 -0.480) 0.481 20.296 ( -0.032 0.000 0.480) 0.481 20.299 ( 0.033 0.000 -0.451) 0.452 20.299 ( 0.033 0.000 0.451) 0.452 20.747 ( -12.936 0.000 -1.405) 13.012 20.747 ( -12.936 0.000 1.405) 13.012 22.227 ( 2.517 0.000 -0.356) 2.543 22.227 ( 2.517 0.000 0.356) 2.543 22.615 ( 10.458 0.000 -4.585) 11.419 22.615 ( 10.458 0.000 4.585) 11.419 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 17.248 0.000 -17.280) 24.415 1.793 ( 17.248 0.000 17.280) 24.415 1.800 ( 10.832 0.000 -18.860) 21.749 1.800 ( 10.832 0.000 18.860) 21.749 2.059 ( -8.515 0.000 -16.157) 18.263 2.059 ( -8.515 0.000 16.157) 18.263 2.110 ( -11.110 0.000 -13.124) 17.196 2.110 ( -11.110 0.000 13.124) 17.196 2.731 ( -0.014 0.000 -9.453) 9.453 2.731 ( -0.014 0.000 9.453) 9.453 3.252 ( 10.400 0.000 -19.491) 22.092 3.252 ( 10.400 0.000 19.491) 22.092 3.378 ( -1.602 0.000 -0.983) 1.879 3.378 ( -1.602 0.000 0.983) 1.879 3.551 ( -15.523 0.000 -7.547) 17.261 3.551 ( -15.523 0.000 7.547) 17.261 3.938 ( 1.650 0.000 -0.515) 1.728 3.938 ( 1.650 0.000 0.515) 1.728 4.120 ( 4.570 0.000 -1.548) 4.825 4.120 ( 4.570 0.000 1.548) 4.825 4.284 ( 8.867 0.000 -5.328) 10.345 4.284 ( 8.867 0.000 5.328) 10.345 4.402 ( -3.625 0.000 -1.628) 3.973 4.402 ( -3.625 0.000 1.628) 3.973 4.684 ( 0.873 0.000 -5.695) 5.762 4.684 ( 0.873 0.000 5.695) 5.762 4.868 ( -12.371 0.000 -8.901) 15.241 4.868 ( -12.371 0.000 8.901) 15.241 5.783 ( 2.629 0.000 -2.171) 3.409 5.783 ( 2.629 0.000 2.171) 3.409 5.917 ( -3.318 0.000 -6.451) 7.255 5.917 ( -3.318 0.000 6.451) 7.255 6.524 ( 5.337 0.000 -1.514) 5.547 6.524 ( 5.337 0.000 1.514) 5.547 7.000 ( 2.184 0.000 -1.325) 2.555 7.000 ( 2.184 0.000 1.325) 2.555 7.137 ( 0.658 0.000 -1.355) 1.506 7.137 ( 0.658 0.000 1.355) 1.506 7.414 ( -0.514 0.000 -1.244) 1.346 7.414 ( -0.514 0.000 1.244) 1.346 7.530 ( 2.930 0.000 -8.702) 9.182 7.530 ( 2.930 0.000 8.702) 9.182 7.591 ( -1.673 0.000 -9.608) 9.753 7.591 ( -1.673 0.000 9.608) 9.753 7.724 ( 0.615 0.000 -0.689) 0.923 7.724 ( 0.615 0.000 0.689) 0.923 8.616 ( -1.056 0.000 -1.295) 1.671 8.616 ( -1.056 0.000 1.295) 1.671 8.635 ( 8.273 0.000 -2.792) 8.732 8.635 ( 8.273 0.000 2.792) 8.732 9.039 ( -10.350 0.000 -4.394) 11.244 9.039 ( -10.350 0.000 4.394) 11.244 10.157 ( 3.641 0.000 -2.834) 4.614 10.157 ( 3.641 0.000 2.834) 4.614 10.473 ( -5.759 0.000 -1.491) 5.949 10.473 ( -5.759 0.000 1.491) 5.949 10.707 ( 2.964 0.000 -14.793) 15.087 10.707 ( 2.964 0.000 14.793) 15.087 10.782 ( -2.628 0.000 -13.851) 14.098 10.782 ( -2.628 0.000 13.851) 14.098 11.169 ( 7.674 0.000 -6.245) 9.894 11.169 ( 7.674 0.000 6.245) 9.894 11.349 ( -0.854 0.000 -10.009) 10.045 11.349 ( -0.854 0.000 10.009) 10.045 11.713 ( 1.222 0.000 -5.980) 6.104 11.713 ( 1.222 0.000 5.980) 6.104 12.247 ( -8.112 0.000 -6.913) 10.658 12.247 ( -8.112 0.000 6.913) 10.658 12.859 ( 0.565 0.000 -14.963) 14.974 12.859 ( 0.565 0.000 14.963) 14.974 12.872 ( -0.562 0.000 -14.730) 14.740 12.872 ( -0.562 0.000 14.730) 14.740 13.913 ( 4.358 0.000 -3.340) 5.490 13.913 ( 4.358 0.000 3.340) 5.490 14.473 ( -2.699 0.000 -1.397) 3.039 14.473 ( -2.699 0.000 1.397) 3.039 15.303 ( 1.559 0.000 -5.741) 5.949 15.303 ( 1.559 0.000 5.741) 5.949 15.463 ( 0.582 0.000 -4.744) 4.780 15.463 ( 0.582 0.000 4.744) 4.780 17.559 ( 0.844 0.000 -7.442) 7.490 17.559 ( 0.844 0.000 7.442) 7.490 18.428 ( -6.245 0.000 -5.238) 8.151 18.428 ( -6.245 0.000 5.238) 8.151 20.198 ( 4.253 0.000 -2.583) 4.976 20.198 ( 4.253 0.000 2.583) 4.976 20.296 ( -0.015 0.000 -0.139) 0.140 20.296 ( -0.015 0.000 0.139) 0.140 20.300 ( 0.015 0.000 -0.128) 0.129 20.300 ( 0.015 0.000 0.128) 0.129 20.509 ( -9.779 0.000 -1.937) 9.969 20.509 ( -9.779 0.000 1.937) 9.969 22.277 ( 1.828 0.000 -0.213) 1.841 22.277 ( 1.828 0.000 0.213) 1.841 22.760 ( 3.955 0.000 -2.369) 4.610 22.760 ( 3.955 0.000 2.369) 4.610 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 12.421 -18.508) 22.289 1.265 ( 0.000 12.421 18.508) 22.289 1.529 ( 0.000 3.844 -26.239) 26.519 1.529 ( 0.000 3.844 26.239) 26.519 2.317 ( 0.000 12.693 -13.321) 18.400 2.317 ( 0.000 12.693 13.321) 18.400 2.513 ( 0.000 12.618 -9.537) 15.817 2.513 ( 0.000 12.618 9.537) 15.817 3.005 ( 0.000 12.453 -30.796) 33.219 3.005 ( 0.000 12.453 30.796) 33.219 3.260 ( 0.000 7.029 -10.318) 12.484 3.260 ( 0.000 7.029 10.318) 12.484 3.552 ( 0.000 2.246 -0.272) 2.262 3.552 ( 0.000 2.246 0.272) 2.262 3.646 ( 0.000 -3.333 -3.936) 5.158 3.646 ( 0.000 -3.333 3.936) 5.158 3.891 ( 0.000 14.428 -5.393) 15.403 3.891 ( 0.000 14.428 5.393) 15.403 4.129 ( 0.000 9.965 -6.540) 11.920 4.129 ( 0.000 9.965 6.540) 11.920 4.144 ( 0.000 17.744 -2.704) 17.949 4.144 ( 0.000 17.744 2.704) 17.949 4.587 ( 0.000 6.825 -4.034) 7.928 4.587 ( 0.000 6.825 4.034) 7.928 4.890 ( 0.000 7.005 -3.534) 7.846 4.890 ( 0.000 7.005 3.534) 7.846 5.425 ( 0.000 3.467 -10.678) 11.226 5.425 ( 0.000 3.467 10.678) 11.226 5.692 ( 0.000 -0.495 -12.386) 12.395 5.692 ( 0.000 -0.495 12.386) 12.395 5.904 ( 0.000 0.150 -3.401) 3.405 5.904 ( 0.000 0.150 3.401) 3.405 6.215 ( 0.000 -2.160 -4.895) 5.350 6.215 ( 0.000 -2.160 4.895) 5.350 6.810 ( 0.000 -3.933 -1.302) 4.143 6.810 ( 0.000 -3.933 1.302) 4.143 7.188 ( 0.000 -0.016 -8.865) 8.865 7.188 ( 0.000 -0.016 8.865) 8.865 7.414 ( 0.000 -2.158 -4.979) 5.426 7.414 ( 0.000 -2.158 4.979) 5.426 7.525 ( 0.000 12.315 -8.852) 15.167 7.525 ( 0.000 12.315 8.852) 15.167 7.654 ( 0.000 4.434 -0.051) 4.435 7.654 ( 0.000 4.434 0.051) 4.435 7.808 ( 0.000 10.647 -0.573) 10.662 7.808 ( 0.000 10.647 0.573) 10.662 8.512 ( 0.000 1.477 -3.156) 3.485 8.512 ( 0.000 1.477 3.156) 3.485 8.703 ( 0.000 3.953 -1.958) 4.411 8.703 ( 0.000 3.953 1.958) 4.411 9.410 ( 0.000 -0.506 -3.682) 3.717 9.410 ( 0.000 -0.506 3.682) 3.717 9.931 ( 0.000 -3.452 -11.684) 12.184 9.931 ( 0.000 -3.452 11.684) 12.184 10.377 ( 0.000 -16.313 -7.413) 17.918 10.377 ( 0.000 -16.313 7.413) 17.918 10.581 ( 0.000 -14.286 -9.818) 17.334 10.581 ( 0.000 -14.286 9.818) 17.334 10.731 ( 0.000 -1.670 -0.479) 1.737 10.731 ( 0.000 -1.670 0.479) 1.737 11.148 ( 0.000 8.586 -0.887) 8.631 11.148 ( 0.000 8.586 0.887) 8.631 11.163 ( 0.000 -5.922 -6.278) 8.630 11.163 ( 0.000 -5.922 6.278) 8.630 11.741 ( 0.000 -2.111 -4.449) 4.925 11.741 ( 0.000 -2.111 4.449) 4.925 12.539 ( 0.000 -3.294 -21.457) 21.709 12.539 ( 0.000 -3.294 21.457) 21.709 12.606 ( 0.000 -16.552 -19.884) 25.871 12.606 ( 0.000 -16.552 19.884) 25.871 12.943 ( 0.000 4.587 -12.610) 13.418 12.943 ( 0.000 4.587 12.610) 13.418 13.960 ( 0.000 15.526 -2.155) 15.675 13.960 ( 0.000 15.526 2.155) 15.675 14.715 ( 0.000 15.822 -5.371) 16.709 14.715 ( 0.000 15.822 5.371) 16.709 15.213 ( 0.000 -1.672 -15.168) 15.260 15.213 ( 0.000 -1.672 15.168) 15.260 15.399 ( 0.000 -4.086 -10.899) 11.640 15.399 ( 0.000 -4.086 10.899) 11.640 17.517 ( 0.000 -1.321 -17.476) 17.526 17.517 ( 0.000 -1.321 17.476) 17.526 18.534 ( 0.000 -21.555 -0.706) 21.566 18.534 ( 0.000 -21.555 0.706) 21.566 19.351 ( 0.000 -34.392 -16.288) 38.054 19.351 ( 0.000 -34.392 16.288) 38.054 19.866 ( 0.000 -29.887 -0.316) 29.889 19.866 ( 0.000 -29.887 0.316) 29.889 20.928 ( 0.000 20.158 -9.116) 22.124 20.928 ( 0.000 20.158 9.116) 22.124 21.210 ( 0.000 12.543 -2.106) 12.718 21.210 ( 0.000 12.543 2.106) 12.718 22.428 ( 0.000 22.962 -2.531) 23.101 22.428 ( 0.000 22.962 2.531) 23.101 22.511 ( 0.000 6.615 -3.213) 7.353 22.511 ( 0.000 6.615 3.213) 7.353 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 18.729 9.735 -12.324) 24.442 1.489 ( 18.729 9.735 12.324) 24.442 1.624 ( 10.633 4.283 -21.783) 24.615 1.624 ( 10.633 4.283 21.783) 24.615 2.258 ( -6.523 8.843 -11.167) 15.666 2.258 ( -6.523 8.843 11.167) 15.666 2.441 ( -6.732 13.541 -10.432) 18.371 2.441 ( -6.732 13.541 10.432) 18.371 2.922 ( -6.486 12.663 -23.762) 27.695 2.922 ( -6.486 12.663 23.762) 27.695 3.269 ( 0.039 8.083 -6.775) 10.547 3.269 ( 0.039 8.083 6.775) 10.547 3.437 ( -4.366 0.422 -1.122) 4.528 3.437 ( -4.366 0.422 1.122) 4.528 3.769 ( 3.332 4.803 -3.396) 6.761 3.769 ( 3.332 4.803 3.396) 6.761 3.957 ( 7.106 9.921 -5.064) 13.213 3.957 ( 7.106 9.921 5.064) 13.213 4.115 ( 0.047 11.905 -1.793) 12.039 4.115 ( 0.047 11.905 1.793) 12.039 4.249 ( 9.332 14.839 -4.417) 18.077 4.249 ( 9.332 14.839 4.417) 18.077 4.560 ( -2.759 7.352 -3.221) 8.487 4.560 ( -2.759 7.352 3.221) 8.487 4.824 ( -6.356 7.049 -1.909) 9.681 4.824 ( -6.356 7.049 1.909) 9.681 5.199 ( -16.829 4.559 -10.500) 20.353 5.199 ( -16.829 4.559 10.500) 20.353 5.721 ( 2.997 0.053 -5.960) 6.672 5.721 ( 2.997 0.053 5.960) 6.672 5.951 ( -0.168 -1.240 -7.234) 7.342 5.951 ( -0.168 -1.240 7.234) 7.342 6.337 ( 10.968 -1.360 -2.674) 11.371 6.337 ( 10.968 -1.360 2.674) 11.371 6.861 ( 4.845 -4.137 -0.581) 6.397 6.861 ( 4.845 -4.137 0.581) 6.397 7.178 ( -0.882 -0.272 -5.881) 5.953 7.178 ( -0.882 -0.272 5.881) 5.953 7.386 ( -2.915 -3.739 -4.694) 6.671 7.386 ( -2.915 -3.739 4.694) 6.671 7.544 ( 2.396 7.070 -6.462) 9.873 7.544 ( 2.396 7.070 6.462) 9.873 7.708 ( 2.794 8.907 -4.789) 10.491 7.708 ( 2.794 8.907 4.789) 10.491 7.797 ( 0.126 10.841 -0.936) 10.882 7.797 ( 0.126 10.841 0.936) 10.882 8.511 ( 2.037 1.748 -3.217) 4.190 8.511 ( 2.037 1.748 3.217) 4.190 8.705 ( -0.216 4.588 -1.959) 4.993 8.705 ( -0.216 4.588 1.959) 4.993 9.304 ( -10.177 2.781 -8.565) 13.589 9.304 ( -10.177 2.781 8.565) 13.589 9.998 ( 6.585 -5.610 -11.254) 14.195 9.998 ( 6.585 -5.610 11.254) 14.195 10.390 ( -0.044 -14.471 -4.843) 15.260 10.390 ( -0.044 -14.471 4.843) 15.260 10.582 ( 0.108 -13.812 -8.144) 16.035 10.582 ( 0.108 -13.812 8.144) 16.035 10.704 ( -2.773 -3.920 -1.917) 5.170 10.704 ( -2.773 -3.920 1.917) 5.170 11.127 ( 0.394 1.616 -1.754) 2.417 11.127 ( 0.394 1.616 1.754) 2.417 11.245 ( 5.594 -2.508 -4.726) 7.740 11.245 ( 5.594 -2.508 4.726) 7.740 11.736 ( -0.269 -0.050 -5.381) 5.388 11.736 ( -0.269 -0.050 5.381) 5.388 12.344 ( -12.918 -8.044 -10.250) 18.348 12.344 ( -12.918 -8.044 10.250) 18.348 12.705 ( 4.309 -10.647 -6.984) 13.442 12.705 ( 4.309 -10.647 6.984) 13.442 12.970 ( 1.994 6.573 -8.952) 11.284 12.970 ( 1.994 6.573 8.952) 11.284 13.968 ( 0.911 12.776 -3.459) 13.268 13.968 ( 0.911 12.776 3.459) 13.268 14.690 ( -2.531 14.781 -4.872) 15.768 14.690 ( -2.531 14.781 4.872) 15.768 15.245 ( 2.847 -1.161 -13.820) 14.158 15.245 ( 2.847 -1.161 13.820) 14.158 15.409 ( 0.934 -3.923 -10.052) 10.831 15.409 ( 0.934 -3.923 10.052) 10.831 17.522 ( 0.547 -1.570 -14.945) 15.038 17.522 ( 0.547 -1.570 14.945) 15.038 18.432 ( -8.917 -18.998 -7.179) 22.181 18.432 ( -8.917 -18.998 7.179) 22.181 19.407 ( 5.144 -33.466 -11.849) 35.872 19.407 ( 5.144 -33.466 11.849) 35.872 19.844 ( -2.327 -29.900 -0.728) 30.000 19.844 ( -2.327 -29.900 0.728) 30.000 20.889 ( -3.175 20.083 -6.501) 21.346 20.889 ( -3.175 20.083 6.501) 21.346 21.099 ( -9.326 15.752 -0.824) 18.324 21.099 ( -9.326 15.752 0.824) 18.324 22.394 ( 0.529 17.524 -0.773) 17.549 22.394 ( 0.529 17.524 0.773) 17.549 22.669 ( 9.712 8.028 -4.417) 13.352 22.669 ( 9.712 8.028 4.417) 13.352 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 11.964 4.817 -16.698) 21.099 1.775 ( 11.964 4.817 16.698) 21.099 1.931 ( 13.910 7.556 -14.273) 21.314 1.931 ( 13.910 7.556 14.273) 21.314 2.095 ( -6.675 5.760 -12.929) 15.649 2.095 ( -6.675 5.760 12.929) 15.649 2.274 ( -10.833 13.137 -11.343) 20.460 2.274 ( -10.833 13.137 11.343) 20.460 2.825 ( -2.979 9.360 -6.648) 11.861 2.825 ( -2.979 9.360 6.648) 11.861 3.296 ( 2.971 3.911 -9.148) 10.383 3.296 ( 2.971 3.911 9.148) 10.383 3.417 ( 1.816 6.602 -6.527) 9.460 3.417 ( 1.816 6.602 6.527) 9.460 3.699 ( -8.072 13.375 -4.025) 16.132 3.699 ( -8.072 13.375 4.025) 16.132 4.095 ( 4.801 10.023 -2.246) 11.338 4.095 ( 4.801 10.023 2.246) 11.338 4.140 ( 1.777 8.727 -0.615) 8.927 4.140 ( 1.777 8.727 0.615) 8.927 4.434 ( 7.147 12.411 -4.519) 15.018 4.434 ( 7.147 12.411 4.519) 15.018 4.500 ( -2.675 9.032 -0.770) 9.452 4.500 ( -2.675 9.032 0.770) 9.452 4.732 ( 0.251 6.133 -3.311) 6.974 4.732 ( 0.251 6.133 3.311) 6.974 4.918 ( -12.081 5.700 -7.569) 15.353 4.918 ( -12.081 5.700 7.569) 15.353 5.776 ( 2.345 -0.164 -1.907) 3.027 5.776 ( 2.345 -0.164 1.907) 3.027 5.907 ( -2.883 -0.806 -6.536) 7.189 5.907 ( -2.883 -0.806 6.536) 7.189 6.515 ( 5.817 -0.849 -1.651) 6.106 6.515 ( 5.817 -0.849 1.651) 6.106 6.946 ( 2.741 -3.690 -0.464) 4.620 6.946 ( 2.741 -3.690 0.464) 4.620 7.171 ( 0.444 -0.942 -2.001) 2.256 7.171 ( 0.444 -0.942 2.001) 2.256 7.317 ( -3.330 -6.873 -3.341) 8.336 7.317 ( -3.330 -6.873 3.341) 8.336 7.608 ( 3.843 4.751 -4.243) 7.439 7.608 ( 3.843 4.751 4.243) 7.439 7.680 ( -3.614 6.790 -4.032) 8.684 7.680 ( -3.614 6.790 4.032) 8.684 7.853 ( 3.041 15.832 -0.835) 16.143 7.853 ( 3.041 15.832 0.835) 16.143 8.596 ( 4.336 0.211 -3.879) 5.822 8.596 ( 4.336 0.211 3.879) 5.822 8.698 ( -0.028 3.280 -1.058) 3.446 8.698 ( -0.028 3.280 1.058) 3.446 9.112 ( -7.255 7.765 -3.925) 11.329 9.112 ( -7.255 7.765 3.925) 11.329 10.124 ( 5.002 -4.215 -4.109) 7.725 10.124 ( 5.002 -4.215 4.109) 7.725 10.349 ( -3.266 -11.472 -1.793) 12.062 10.349 ( -3.266 -11.472 1.793) 12.062 10.585 ( 0.181 -14.185 -3.604) 14.636 10.585 ( 0.181 -14.185 3.604) 14.636 10.653 ( -1.711 -6.593 -1.833) 7.054 10.653 ( -1.711 -6.593 1.833) 7.054 11.149 ( 1.163 -5.973 -3.320) 6.932 11.149 ( 1.163 -5.973 3.320) 6.932 11.337 ( 2.944 -1.247 -5.841) 6.659 11.337 ( 2.944 -1.247 5.841) 6.659 11.748 ( 1.482 2.329 -4.372) 5.171 11.748 ( 1.482 2.329 4.372) 5.171 12.129 ( -7.820 -7.864 -4.526) 11.978 12.129 ( -7.820 -7.864 4.526) 11.978 12.759 ( 1.519 -8.308 -3.789) 9.257 12.759 ( 1.519 -8.308 3.789) 9.257 12.994 ( 0.542 8.966 -3.346) 9.585 12.994 ( 0.542 8.966 3.346) 9.585 13.991 ( 1.018 7.661 -1.931) 7.967 13.991 ( 1.018 7.661 1.931) 7.967 14.640 ( -1.899 14.503 -1.933) 14.754 14.640 ( -1.899 14.503 1.933) 14.754 15.293 ( 1.607 -0.747 -6.043) 6.297 15.293 ( 1.607 -0.747 6.043) 6.297 15.426 ( 0.657 -3.748 -4.659) 6.015 15.426 ( 0.657 -3.748 4.659) 6.015 17.535 ( 0.570 -2.126 -6.448) 6.814 17.535 ( 0.570 -2.126 6.448) 6.814 18.282 ( -4.986 -14.914 -5.010) 16.504 18.282 ( -4.986 -14.914 5.010) 16.504 19.505 ( 3.887 -33.164 -4.527) 33.696 19.505 ( 3.887 -33.164 4.527) 33.696 19.790 ( -2.471 -29.410 -0.978) 29.530 19.790 ( -2.471 -29.410 0.978) 29.530 20.852 ( -0.032 19.206 -2.481) 19.366 20.852 ( -0.032 19.206 2.481) 19.366 20.939 ( -6.038 19.130 -0.894) 20.080 20.939 ( -6.038 19.130 0.894) 20.080 22.424 ( 1.433 16.096 -0.252) 16.162 22.424 ( 1.433 16.096 0.252) 16.162 22.799 ( 3.468 5.544 -2.204) 6.901 22.799 ( 3.468 5.544 2.204) 6.901 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 0.000 21.637 -14.039) 25.793 1.603 ( 0.000 21.637 14.039) 25.793 1.746 ( 0.000 18.215 -18.055) 25.647 1.746 ( 0.000 18.215 18.055) 25.647 2.538 ( 0.000 10.961 -6.166) 12.577 2.538 ( 0.000 10.961 6.166) 12.577 2.845 ( 0.000 18.999 -6.955) 20.232 2.845 ( 0.000 18.999 6.955) 20.232 3.245 ( 0.000 11.816 -13.806) 18.172 3.245 ( 0.000 11.816 13.806) 18.172 3.494 ( 0.000 8.249 -7.178) 10.935 3.494 ( 0.000 8.249 7.178) 10.935 3.606 ( 0.000 13.685 -12.592) 18.597 3.606 ( 0.000 13.685 12.592) 18.597 3.701 ( 0.000 7.018 -4.224) 8.191 3.701 ( 0.000 7.018 4.224) 8.191 4.213 ( 0.000 13.494 -11.075) 17.457 4.213 ( 0.000 13.494 11.075) 17.457 4.417 ( 0.000 21.707 -5.222) 22.326 4.417 ( 0.000 21.707 5.222) 22.326 4.531 ( 0.000 21.248 -1.953) 21.338 4.531 ( 0.000 21.248 1.953) 21.338 4.706 ( 0.000 5.186 -3.104) 6.044 4.706 ( 0.000 5.186 3.104) 6.044 5.136 ( 0.000 18.213 -3.599) 18.566 5.136 ( 0.000 18.213 3.599) 18.566 5.514 ( 0.000 4.233 -6.345) 7.627 5.514 ( 0.000 4.233 6.345) 7.627 5.709 ( 0.000 3.569 -10.924) 11.492 5.709 ( 0.000 3.569 10.924) 11.492 5.906 ( 0.000 0.332 -5.829) 5.838 5.906 ( 0.000 0.332 5.829) 5.838 6.225 ( 0.000 3.338 -3.074) 4.538 6.225 ( 0.000 3.338 3.074) 4.538 6.721 ( 0.000 -5.602 -0.414) 5.617 6.721 ( 0.000 -5.602 0.414) 5.617 7.123 ( 0.000 -4.972 -11.041) 12.109 7.123 ( 0.000 -4.972 11.041) 12.109 7.322 ( 0.000 -6.326 -7.184) 9.572 7.322 ( 0.000 -6.326 7.184) 9.572 7.622 ( 0.000 2.606 -1.893) 3.221 7.622 ( 0.000 2.606 1.893) 3.221 7.956 ( 0.000 19.230 -8.388) 20.980 7.956 ( 0.000 19.230 8.388) 20.980 8.048 ( 0.000 11.978 -0.147) 11.979 8.048 ( 0.000 11.978 0.147) 11.979 8.538 ( 0.000 0.460 -1.963) 2.016 8.538 ( 0.000 0.460 1.963) 2.016 8.829 ( 0.000 9.328 -3.542) 9.978 8.829 ( 0.000 9.328 3.542) 9.978 9.401 ( 0.000 -0.340 -1.142) 1.192 9.401 ( 0.000 -0.340 1.142) 1.192 9.768 ( 0.000 -14.254 -12.519) 18.971 9.768 ( 0.000 -14.254 12.519) 18.971 10.115 ( 0.000 -15.558 -2.307) 15.728 10.115 ( 0.000 -15.558 2.307) 15.728 10.296 ( 0.000 -9.320 -0.212) 9.322 10.296 ( 0.000 -9.320 0.212) 9.322 10.677 ( 0.000 -5.201 -1.156) 5.328 10.677 ( 0.000 -5.201 1.156) 5.328 10.950 ( 0.000 -13.203 -7.459) 15.164 10.950 ( 0.000 -13.203 7.459) 15.164 11.170 ( 0.000 -3.598 -4.510) 5.769 11.170 ( 0.000 -3.598 4.510) 5.769 11.785 ( 0.000 5.095 -3.481) 6.171 11.785 ( 0.000 5.095 3.481) 6.171 12.357 ( 0.000 -7.736 -21.268) 22.631 12.357 ( 0.000 -7.736 21.268) 22.631 12.485 ( 0.000 -2.936 -20.517) 20.726 12.485 ( 0.000 -2.936 20.517) 20.726 13.015 ( 0.000 2.543 -8.674) 9.039 13.015 ( 0.000 2.543 8.674) 9.039 14.198 ( 0.000 9.105 -5.762) 10.775 14.198 ( 0.000 9.105 5.762) 10.775 15.041 ( 0.000 11.652 -3.648) 12.209 15.041 ( 0.000 11.652 3.648) 12.209 15.168 ( 0.000 -1.688 -16.072) 16.160 15.168 ( 0.000 -1.688 16.072) 16.160 15.312 ( 0.000 -2.395 -7.591) 7.960 15.312 ( 0.000 -2.395 7.591) 7.960 17.492 ( 0.000 -0.949 -12.055) 12.092 17.492 ( 0.000 -0.949 12.055) 12.092 17.998 ( 0.000 -27.158 -9.472) 28.763 17.998 ( 0.000 -27.158 9.472) 28.763 18.945 ( 0.000 -13.079 -11.286) 17.275 18.945 ( 0.000 -13.079 11.286) 17.275 19.308 ( 0.000 -27.183 -0.746) 27.193 19.308 ( 0.000 -27.183 0.746) 27.193 20.986 ( 0.000 -10.889 -3.433) 11.417 20.986 ( 0.000 -10.889 3.433) 11.417 21.269 ( 0.000 -4.987 -1.727) 5.278 21.269 ( 0.000 -4.987 1.727) 5.278 22.769 ( 0.000 21.374 -0.203) 21.375 22.769 ( 0.000 21.374 0.203) 21.375 22.994 ( 0.000 29.814 -6.730) 30.564 22.994 ( 0.000 29.814 6.730) 30.564 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 14.832 18.176 -8.288) 24.880 1.769 ( 14.832 18.176 8.288) 24.880 1.824 ( 8.486 16.685 -12.043) 22.259 1.824 ( 8.486 16.685 12.043) 22.259 2.451 ( -8.387 11.503 -7.329) 16.012 2.451 ( -8.387 11.503 7.329) 16.012 2.756 ( -9.033 16.463 -7.421) 20.191 2.756 ( -9.033 16.463 7.421) 20.191 3.183 ( -6.018 13.613 -10.022) 17.944 3.183 ( -6.018 13.613 10.022) 17.944 3.424 ( -3.267 6.221 -4.730) 8.470 3.424 ( -3.267 6.221 4.730) 8.470 3.600 ( 2.187 17.722 -11.704) 21.350 3.600 ( 2.187 17.722 11.704) 21.350 3.872 ( 10.017 6.981 -2.206) 12.407 3.872 ( 10.017 6.981 2.206) 12.407 4.237 ( 1.756 13.533 -9.833) 16.820 4.237 ( 1.756 13.533 9.833) 16.820 4.410 ( -0.079 19.901 -4.147) 20.328 4.410 ( -0.079 19.901 4.147) 20.328 4.586 ( 4.929 16.000 -4.414) 17.314 4.586 ( 4.929 16.000 4.414) 17.314 4.716 ( 1.674 11.441 -1.063) 11.611 4.716 ( 1.674 11.441 1.063) 11.611 5.068 ( -6.680 17.691 -3.473) 19.226 5.068 ( -6.680 17.691 3.473) 19.226 5.340 ( -13.161 9.605 -7.974) 18.140 5.340 ( -13.161 9.605 7.974) 18.140 5.745 ( 2.925 2.746 -6.112) 7.311 5.745 ( 2.925 2.746 6.112) 7.311 5.929 ( -0.049 -0.482 -8.720) 8.734 5.929 ( -0.049 -0.482 8.720) 8.734 6.333 ( 9.334 0.983 -2.280) 9.658 6.333 ( 9.334 0.983 2.280) 9.658 6.770 ( 4.750 -5.627 -0.869) 7.415 6.770 ( 4.750 -5.627 0.869) 7.415 7.111 ( -1.357 -5.144 -7.575) 9.257 7.111 ( -1.357 -5.144 7.575) 9.257 7.280 ( -4.056 -6.296 -7.609) 10.677 7.280 ( -4.056 -6.296 7.609) 10.677 7.620 ( 1.051 2.767 -2.007) 3.576 7.620 ( 1.051 2.767 2.007) 3.576 7.928 ( -4.608 11.056 -2.430) 12.222 7.928 ( -4.608 11.056 2.430) 12.222 8.112 ( 6.994 17.882 -4.862) 19.807 8.112 ( 6.994 17.882 4.862) 19.807 8.569 ( 3.553 3.101 -6.702) 8.195 8.569 ( 3.553 3.101 6.702) 8.195 8.803 ( -2.736 6.510 -1.856) 7.301 8.803 ( -2.736 6.510 1.856) 7.301 9.385 ( -3.003 4.866 -3.876) 6.908 9.385 ( -3.003 4.866 3.876) 6.908 9.801 ( 4.739 -14.668 -13.353) 20.394 9.801 ( 4.739 -14.668 13.353) 20.394 10.112 ( -0.245 -17.894 -3.724) 18.279 10.112 ( -0.245 -17.894 3.724) 18.279 10.313 ( 1.226 -9.403 -2.778) 9.881 10.313 ( 1.226 -9.403 2.778) 9.881 10.618 ( -5.443 -5.194 -2.740) 8.007 10.618 ( -5.443 -5.194 2.740) 8.007 10.949 ( -0.196 -13.915 -5.416) 14.933 10.949 ( -0.196 -13.915 5.416) 14.933 11.211 ( 3.502 -3.236 -6.135) 7.770 11.211 ( 3.502 -3.236 6.135) 7.770 11.773 ( -0.780 3.430 -7.993) 8.732 11.773 ( -0.780 3.430 7.993) 8.732 12.215 ( -10.602 -4.949 -4.487) 12.531 12.215 ( -10.602 -4.949 4.487) 12.531 12.562 ( 4.858 -3.951 -4.879) 7.939 12.562 ( 4.858 -3.951 4.879) 7.939 13.055 ( 3.106 1.902 -5.996) 7.015 13.055 ( 3.106 1.902 5.996) 7.015 14.195 ( -0.235 10.225 -4.612) 11.220 14.195 ( -0.235 10.225 4.612) 11.220 14.965 ( -5.375 8.424 -3.221) 10.499 14.965 ( -5.375 8.424 3.221) 10.499 15.234 ( 4.491 0.415 -14.486) 15.172 15.234 ( 4.491 0.415 14.486) 15.172 15.323 ( 0.905 -2.229 -8.574) 8.905 15.323 ( 0.905 -2.229 8.574) 8.905 17.493 ( 0.111 -1.081 -10.066) 10.125 17.493 ( 0.111 -1.081 10.066) 10.125 17.965 ( -2.966 -24.377 -8.621) 26.026 17.965 ( -2.966 -24.377 8.621) 26.026 18.968 ( 2.213 -15.380 -9.209) 18.062 18.968 ( 2.213 -15.380 9.209) 18.062 19.294 ( -1.361 -26.428 -0.461) 26.467 19.294 ( -1.361 -26.428 0.461) 26.467 20.966 ( -1.494 -9.092 -2.459) 9.537 20.966 ( -1.494 -9.092 2.459) 9.537 21.208 ( -5.527 -3.594 -1.781) 6.829 21.208 ( -5.527 -3.594 1.781) 6.829 22.802 ( 3.105 23.247 -0.657) 23.463 22.802 ( 3.105 23.247 0.657) 23.463 23.015 ( 1.625 25.385 -5.969) 26.128 23.015 ( 1.625 25.385 5.969) 26.128 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 9.916 16.415 -13.477) 23.440 1.988 ( 9.916 16.415 13.477) 23.440 2.105 ( 13.140 11.017 -11.184) 20.472 2.105 ( 13.140 11.017 11.184) 20.472 2.276 ( -6.705 12.569 -10.263) 17.557 2.276 ( -6.705 12.569 10.263) 17.557 2.532 ( -12.872 12.317 -7.815) 19.455 2.532 ( -12.872 12.317 7.815) 19.455 3.076 ( -3.733 16.226 -3.468) 17.007 3.076 ( -3.733 16.226 3.468) 17.007 3.404 ( 0.162 8.003 -3.060) 8.569 3.404 ( 0.162 8.003 3.060) 8.569 3.659 ( 2.975 16.648 -6.800) 18.228 3.659 ( 2.975 16.648 6.800) 18.228 3.969 ( 0.189 13.105 -1.988) 13.257 3.969 ( 0.189 13.105 1.988) 13.257 4.300 ( 5.503 10.725 -4.499) 12.867 4.300 ( 5.503 10.725 4.499) 12.867 4.400 ( -2.529 15.500 -2.523) 15.906 4.400 ( -2.529 15.500 2.523) 15.906 4.649 ( 1.780 8.592 -1.392) 8.884 4.649 ( 1.780 8.592 1.392) 8.884 4.795 ( 3.404 23.238 -6.478) 24.363 4.795 ( 3.404 23.238 6.478) 24.363 4.959 ( -0.086 15.675 -5.244) 16.529 4.959 ( -0.086 15.675 5.244) 16.529 5.107 ( -11.062 13.784 -4.843) 18.325 5.107 ( -11.062 13.784 4.843) 18.325 5.802 ( 2.813 3.279 -3.038) 5.282 5.802 ( 2.813 3.279 3.038) 5.282 5.896 ( -2.591 0.202 -7.628) 8.058 5.896 ( -2.591 0.202 7.628) 8.058 6.488 ( 5.240 -2.134 -1.292) 5.804 6.488 ( 5.240 -2.134 1.292) 5.804 6.858 ( 3.005 -5.881 -1.217) 6.715 6.858 ( 3.005 -5.881 1.217) 6.715 7.090 ( 0.153 -5.953 -0.589) 5.984 7.090 ( 0.153 -5.953 0.589) 5.984 7.191 ( -4.306 -5.512 -6.355) 9.450 7.191 ( -4.306 -5.512 6.355) 9.450 7.679 ( 4.679 3.356 -0.933) 5.833 7.679 ( 4.679 3.356 0.933) 5.833 7.812 ( -6.367 6.527 -0.473) 9.130 7.812 ( -6.367 6.527 0.473) 9.130 8.253 ( 6.031 20.856 -3.057) 21.925 8.253 ( 6.031 20.856 3.057) 21.925 8.616 ( -0.863 1.238 -7.699) 7.845 8.616 ( -0.863 1.238 7.699) 7.845 8.764 ( 0.231 5.259 -2.509) 5.831 8.764 ( 0.231 5.259 2.509) 5.831 9.311 ( -2.981 10.767 -1.666) 11.296 9.311 ( -2.981 10.767 1.666) 11.296 9.940 ( 8.528 -15.361 -9.021) 19.750 9.940 ( 8.528 -15.361 9.021) 19.750 10.076 ( -4.662 -17.183 -5.905) 18.758 10.076 ( -4.662 -17.183 5.905) 18.758 10.327 ( 0.205 -10.362 -2.614) 10.688 10.327 ( 0.205 -10.362 2.614) 10.688 10.522 ( -3.118 -6.412 -1.488) 7.284 10.522 ( -3.118 -6.412 1.488) 7.284 10.944 ( -0.271 -12.293 -2.336) 12.516 10.944 ( -0.271 -12.293 2.336) 12.516 11.267 ( 1.719 -5.925 -4.006) 7.356 11.267 ( 1.719 -5.925 4.006) 7.356 11.775 ( 0.931 0.712 -6.261) 6.369 11.775 ( 0.931 0.712 6.261) 6.369 12.037 ( -6.377 -1.633 -1.694) 6.798 12.037 ( -6.377 -1.633 1.694) 6.798 12.635 ( 2.327 -3.892 -3.474) 5.712 12.635 ( 2.327 -3.892 3.474) 5.712 13.098 ( 1.161 1.204 -2.239) 2.795 13.098 ( 1.161 1.204 2.239) 2.795 14.191 ( -0.137 12.046 -1.744) 12.172 14.191 ( -0.137 12.046 1.744) 12.172 14.885 ( -2.417 7.035 -1.347) 7.559 14.885 ( -2.417 7.035 1.347) 7.559 15.304 ( 2.603 0.924 -12.283) 12.590 15.304 ( 2.603 0.924 12.283) 12.590 15.333 ( -0.153 -2.886 -10.271) 10.670 15.333 ( -0.153 -2.886 10.271) 10.670 17.496 ( 0.163 -1.399 -4.137) 4.370 17.496 ( 0.163 -1.399 4.137) 4.370 17.913 ( -1.845 -20.260 -3.917) 20.718 17.913 ( -1.845 -20.260 3.917) 20.718 19.011 ( 1.664 -19.283 -3.696) 19.704 19.011 ( 1.664 -19.283 3.696) 19.704 19.266 ( -1.155 -24.714 -0.288) 24.743 19.266 ( -1.155 -24.714 0.288) 24.743 20.951 ( -0.037 -6.494 -1.052) 6.578 20.951 ( -0.037 -6.494 1.052) 6.578 21.106 ( -3.862 -1.977 -1.157) 4.491 21.106 ( -3.862 -1.977 1.157) 4.491 22.861 ( 2.226 26.296 -0.690) 26.399 22.861 ( 2.226 26.296 0.690) 26.399 23.035 ( 0.378 18.957 -2.749) 19.159 23.035 ( 0.378 18.957 2.749) 19.159 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.000 24.329 -11.139) 26.758 2.055 ( 0.000 24.329 11.139) 26.758 2.192 ( 0.000 26.560 -11.032) 28.760 2.192 ( 0.000 26.560 11.032) 28.760 2.766 ( 0.000 12.725 -3.830) 13.289 2.766 ( 0.000 12.725 3.830) 13.289 3.156 ( 0.000 11.920 -6.139) 13.407 3.156 ( 0.000 11.920 6.139) 13.407 3.512 ( 0.000 15.791 -5.967) 16.881 3.512 ( 0.000 15.791 5.967) 16.881 3.590 ( 0.000 7.199 -1.031) 7.273 3.590 ( 0.000 7.199 1.031) 7.273 3.864 ( 0.000 9.625 -3.178) 10.136 3.864 ( 0.000 9.625 3.178) 10.136 4.012 ( 0.000 21.098 -13.243) 24.910 4.012 ( 0.000 21.098 13.243) 24.910 4.406 ( 0.000 8.088 -11.014) 13.665 4.406 ( 0.000 8.088 11.014) 13.665 4.711 ( 0.000 0.597 -4.730) 4.768 4.711 ( 0.000 0.597 4.730) 4.768 4.828 ( 0.000 16.779 -12.001) 20.629 4.828 ( 0.000 16.779 12.001) 20.629 5.078 ( 0.000 30.298 -0.046) 30.298 5.078 ( 0.000 30.298 0.046) 30.298 5.494 ( 0.000 9.495 -4.402) 10.466 5.494 ( 0.000 9.495 4.402) 10.466 5.602 ( 0.000 14.103 -2.589) 14.338 5.602 ( 0.000 14.103 2.589) 14.338 5.793 ( 0.000 2.066 -5.207) 5.602 5.793 ( 0.000 2.066 5.207) 5.602 5.975 ( 0.000 8.061 -4.926) 9.447 5.975 ( 0.000 8.061 4.926) 9.447 6.322 ( 0.000 5.522 -0.172) 5.524 6.322 ( 0.000 5.522 0.172) 5.524 6.589 ( 0.000 -7.673 -2.599) 8.101 6.589 ( 0.000 -7.673 2.599) 8.101 7.033 ( 0.000 -3.478 -11.608) 12.118 7.033 ( 0.000 -3.478 11.608) 12.118 7.220 ( 0.000 -2.878 -3.830) 4.791 7.220 ( 0.000 -2.878 3.830) 4.791 7.704 ( 0.000 5.993 -2.795) 6.613 7.704 ( 0.000 5.993 2.795) 6.613 8.163 ( 0.000 1.383 -2.081) 2.498 8.163 ( 0.000 1.383 2.081) 2.498 8.332 ( 0.000 16.995 -9.581) 19.510 8.332 ( 0.000 16.995 9.581) 19.510 8.543 ( 0.000 0.999 -3.777) 3.907 8.543 ( 0.000 0.999 3.777) 3.907 9.013 ( 0.000 7.473 -7.488) 10.579 9.013 ( 0.000 7.473 7.488) 10.579 9.392 ( 0.000 -4.668 -1.160) 4.810 9.392 ( 0.000 -4.668 1.160) 4.810 9.428 ( 0.000 -16.198 -12.914) 20.715 9.428 ( 0.000 -16.198 12.914) 20.715 9.659 ( 0.000 -27.993 -12.326) 30.587 9.659 ( 0.000 -27.993 12.326) 30.587 10.264 ( 0.000 1.114 -2.227) 2.490 10.264 ( 0.000 1.114 2.227) 2.490 10.482 ( 0.000 -11.829 -2.180) 12.028 10.482 ( 0.000 -11.829 2.180) 12.028 10.837 ( 0.000 1.888 -8.714) 8.916 10.837 ( 0.000 1.888 8.714) 8.916 11.112 ( 0.000 -1.747 -5.702) 5.964 11.112 ( 0.000 -1.747 5.702) 5.964 11.857 ( 0.000 1.623 -4.894) 5.156 11.857 ( 0.000 1.623 4.894) 5.156 12.290 ( 0.000 0.190 -15.697) 15.698 12.290 ( 0.000 0.190 15.697) 15.698 12.431 ( 0.000 -2.478 -20.099) 20.251 12.431 ( 0.000 -2.478 20.099) 20.251 13.037 ( 0.000 -0.403 -7.629) 7.640 13.037 ( 0.000 -0.403 7.629) 7.640 14.313 ( 0.000 2.525 -13.078) 13.320 14.313 ( 0.000 2.525 13.078) 13.320 14.967 ( 0.000 -11.410 -10.313) 15.380 14.967 ( 0.000 -11.410 10.313) 15.380 15.188 ( 0.000 1.342 -14.094) 14.158 15.188 ( 0.000 1.342 14.094) 14.158 15.428 ( 0.000 9.253 -0.059) 9.253 15.428 ( 0.000 9.253 0.059) 9.253 17.487 ( 0.000 0.078 -6.220) 6.220 17.487 ( 0.000 0.078 6.220) 6.220 17.617 ( 0.000 -11.307 -4.310) 12.100 17.617 ( 0.000 -11.307 4.310) 12.100 18.719 ( 0.000 -11.857 -8.241) 14.439 18.719 ( 0.000 -11.857 8.241) 14.439 18.829 ( 0.000 -21.835 -3.364) 22.092 18.829 ( 0.000 -21.835 3.364) 22.092 20.671 ( 0.000 -19.305 -2.234) 19.434 20.671 ( 0.000 -19.305 2.234) 19.434 21.051 ( 0.000 -15.991 -1.703) 16.082 21.051 ( 0.000 -15.991 1.703) 16.082 23.247 ( 0.000 25.813 -0.704) 25.823 23.247 ( 0.000 25.813 0.704) 25.823 23.516 ( 0.000 23.896 -5.104) 24.435 23.516 ( 0.000 23.896 5.104) 24.435 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 8.803 21.015 -10.987) 25.295 2.145 ( 8.803 21.015 10.987) 25.295 2.248 ( 5.588 25.063 -9.571) 27.404 2.248 ( 5.588 25.063 9.571) 27.404 2.703 ( -6.149 14.345 -4.730) 16.308 2.703 ( -6.149 14.345 4.730) 16.308 3.010 ( -13.150 9.652 -6.225) 17.459 3.010 ( -13.150 9.652 6.225) 17.459 3.476 ( -2.558 17.133 -5.399) 18.144 3.476 ( -2.558 17.133 5.399) 18.144 3.598 ( 0.303 11.696 -4.905) 12.687 3.598 ( 0.303 11.696 4.905) 12.687 3.919 ( 3.946 11.795 -2.537) 12.693 3.919 ( 3.946 11.795 2.537) 12.693 4.084 ( 6.844 15.413 -8.460) 18.867 4.084 ( 6.844 15.413 8.460) 18.867 4.432 ( 1.605 8.139 -9.504) 12.615 4.432 ( 1.605 8.139 9.504) 12.615 4.670 ( -2.826 3.679 -6.223) 7.762 4.670 ( -2.826 3.679 6.223) 7.762 4.883 ( 4.764 17.766 -11.681) 21.789 4.883 ( 4.764 17.766 11.681) 21.789 5.106 ( 3.030 24.750 -2.572) 25.067 5.106 ( 3.030 24.750 2.572) 25.067 5.402 ( -7.678 12.239 -4.813) 15.228 5.402 ( -7.678 12.239 4.813) 15.228 5.571 ( -4.756 16.731 -5.110) 18.129 5.571 ( -4.756 16.731 5.110) 18.129 5.810 ( 2.558 3.287 -3.362) 5.353 5.810 ( 2.558 3.287 3.362) 5.353 5.981 ( 0.240 6.623 -7.306) 9.864 5.981 ( 0.240 6.623 7.306) 9.864 6.365 ( 3.899 1.715 -1.144) 4.410 6.365 ( 3.899 1.715 1.144) 4.410 6.640 ( 4.545 -7.344 -2.886) 9.106 6.640 ( 4.545 -7.344 2.886) 9.106 7.017 ( -1.825 -3.736 -8.937) 9.857 7.017 ( -1.825 -3.736 8.937) 9.857 7.187 ( -2.942 -2.166 -4.106) 5.496 7.187 ( -2.942 -2.166 4.106) 5.496 7.699 ( 0.774 5.720 -4.296) 7.195 7.699 ( 0.774 5.720 4.296) 7.195 8.086 ( -7.309 4.547 -2.358) 8.925 8.086 ( -7.309 4.547 2.358) 8.925 8.405 ( 5.938 12.504 -7.397) 15.695 8.405 ( 5.938 12.504 7.397) 15.695 8.601 ( 5.260 0.709 -8.945) 10.401 8.601 ( 5.260 0.709 8.945) 10.401 8.967 ( -3.251 8.815 -5.991) 11.143 8.967 ( -3.251 8.815 5.991) 11.143 9.395 ( -0.444 -13.042 -11.283) 17.251 9.395 ( -0.444 -13.042 11.283) 17.251 9.496 ( 4.909 -11.003 -12.906) 17.656 9.496 ( 4.909 -11.003 12.906) 17.656 9.674 ( 2.790 -22.537 -7.665) 23.968 9.674 ( 2.790 -22.537 7.665) 23.968 10.208 ( -3.903 -3.830 -5.999) 8.117 10.208 ( -3.903 -3.830 5.999) 8.117 10.517 ( 0.895 -4.452 -3.653) 5.828 10.517 ( 0.895 -4.452 3.653) 5.828 10.772 ( -3.912 -2.255 -7.392) 8.662 10.772 ( -3.912 -2.255 7.392) 8.662 11.148 ( 1.982 -2.482 -6.058) 6.840 11.148 ( 1.982 -2.482 6.058) 6.840 11.832 ( -2.348 2.149 -10.870) 11.327 11.832 ( -2.348 2.149 10.870) 11.327 12.157 ( -8.570 -0.973 -0.885) 8.671 12.157 ( -8.570 -0.973 0.885) 8.671 12.525 ( 5.425 -0.507 -10.317) 11.667 12.525 ( 5.425 -0.507 10.317) 11.667 13.050 ( 0.994 -2.058 -5.897) 6.324 13.050 ( 0.994 -2.058 5.897) 6.324 14.340 ( 2.586 3.913 -11.625) 12.536 14.340 ( 2.586 3.913 11.625) 12.536 14.933 ( -3.269 -8.952 -7.491) 12.122 14.933 ( -3.269 -8.952 7.491) 12.122 15.199 ( 1.082 -0.676 -9.704) 9.787 15.199 ( 1.082 -0.676 9.704) 9.787 15.438 ( 0.827 8.485 -0.865) 8.569 15.438 ( 0.827 8.485 0.865) 8.569 17.488 ( 0.176 0.412 -5.166) 5.186 17.488 ( 0.176 0.412 5.166) 5.186 17.611 ( -0.558 -11.046 -3.728) 11.671 17.611 ( -0.558 -11.046 3.728) 11.671 18.709 ( -0.900 -13.079 -6.329) 14.558 18.709 ( -0.900 -13.079 6.329) 14.558 18.832 ( 0.188 -21.037 -2.400) 21.174 18.832 ( 0.188 -21.037 2.400) 21.174 20.681 ( 1.121 -18.199 -2.321) 18.381 20.681 ( 1.121 -18.199 2.321) 18.381 21.006 ( -4.317 -15.576 -1.806) 16.264 21.006 ( -4.317 -15.576 1.806) 16.264 23.283 ( 3.537 25.300 -0.252) 25.547 23.283 ( 3.537 25.300 0.252) 25.547 23.503 ( -1.440 23.536 -4.510) 24.007 23.503 ( -1.440 23.536 4.510) 24.007 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 10.297 17.121 -11.021) 22.817 2.345 ( 10.297 17.121 11.021) 22.817 2.383 ( 7.424 19.862 -5.013) 21.788 2.383 ( 7.424 19.862 5.013) 21.788 2.565 ( -7.123 16.824 -6.182) 19.288 2.565 ( -7.123 16.824 6.182) 19.288 2.742 ( -12.713 10.027 -6.095) 17.301 2.742 ( -12.713 10.027 6.095) 17.301 3.436 ( -1.310 20.409 -2.790) 20.641 3.436 ( -1.310 20.409 2.790) 20.641 3.604 ( 0.301 12.242 -2.429) 12.484 3.604 ( 0.301 12.242 2.429) 12.484 3.983 ( 2.262 14.807 -1.894) 15.098 3.983 ( 2.262 14.807 1.894) 15.098 4.203 ( 3.896 11.006 -2.722) 11.988 4.203 ( 3.896 11.006 2.722) 11.988 4.441 ( -0.176 5.861 -4.643) 7.480 4.441 ( -0.176 5.861 4.643) 7.480 4.629 ( -1.352 6.897 -3.330) 7.777 4.629 ( -1.352 6.897 3.330) 7.777 4.978 ( 4.153 23.292 -6.094) 24.432 4.978 ( 4.153 23.292 6.094) 24.432 5.180 ( 2.476 13.343 -4.054) 14.163 5.180 ( 2.476 13.343 4.054) 14.163 5.280 ( -1.901 15.246 -12.117) 19.567 5.280 ( -1.901 15.246 12.117) 19.567 5.436 ( -7.707 20.953 -6.140) 23.154 5.436 ( -7.707 20.953 6.140) 23.154 5.881 ( 3.832 4.670 -2.231) 6.440 5.881 ( 3.832 4.670 2.231) 6.440 5.967 ( -1.743 7.609 -5.874) 9.769 5.967 ( -1.743 7.609 5.874) 9.769 6.435 ( 2.527 -2.925 -0.638) 3.918 6.435 ( 2.527 -2.925 0.638) 3.918 6.716 ( 2.427 -8.329 -1.831) 8.866 6.716 ( 2.427 -8.329 1.831) 8.866 6.978 ( -1.465 -4.585 -2.752) 5.544 6.978 ( -1.465 -4.585 2.752) 5.544 7.136 ( -1.779 0.211 -2.660) 3.206 7.136 ( -1.779 0.211 2.660) 3.206 7.762 ( 5.658 5.536 -3.330) 8.588 7.762 ( 5.658 5.536 3.330) 8.588 7.923 ( -8.635 5.124 -2.231) 10.286 7.923 ( -8.635 5.124 2.231) 10.286 8.528 ( 6.868 7.078 -2.769) 10.244 8.528 ( 6.868 7.078 2.769) 10.244 8.639 ( -3.166 1.618 -8.650) 9.352 8.639 ( -3.166 1.618 8.650) 9.352 8.954 ( 1.761 13.013 -4.312) 13.822 8.954 ( 1.761 13.013 4.312) 13.822 9.368 ( -1.703 -11.138 -5.325) 12.462 9.368 ( -1.703 -11.138 5.325) 12.462 9.551 ( 1.324 -24.431 -5.458) 25.069 9.551 ( 1.324 -24.431 5.458) 25.069 9.760 ( 3.742 -10.151 -2.778) 11.170 9.760 ( 3.742 -10.151 2.778) 11.170 10.176 ( 0.986 -4.005 -4.446) 6.064 10.176 ( 0.986 -4.005 4.446) 6.064 10.443 ( -6.177 -1.357 -0.268) 6.330 10.443 ( -6.177 -1.357 0.268) 6.330 10.775 ( 2.530 -4.712 -2.666) 5.976 10.775 ( 2.530 -4.712 2.666) 5.976 11.148 ( -1.380 -5.518 -3.047) 6.453 11.148 ( -1.380 -5.518 3.047) 6.453 11.794 ( -1.103 1.720 -7.013) 7.304 11.794 ( -1.103 1.720 7.013) 7.304 12.038 ( -3.368 1.074 -1.813) 3.973 12.038 ( -3.368 1.074 1.813) 3.973 12.598 ( 2.070 -0.458 -4.703) 5.159 12.598 ( 2.070 -0.458 4.703) 5.159 13.062 ( 0.207 -4.083 -2.324) 4.702 13.062 ( 0.207 -4.083 2.324) 4.702 14.391 ( 2.020 6.737 -5.492) 8.924 14.391 ( 2.020 6.737 5.492) 8.924 14.869 ( -2.405 -6.844 -3.377) 8.002 14.869 ( -2.405 -6.844 3.377) 8.002 15.220 ( 0.764 -2.982 -3.039) 4.326 15.220 ( 0.764 -2.982 3.039) 4.326 15.451 ( 0.424 7.542 -0.735) 7.589 15.451 ( 0.424 7.542 0.735) 7.589 17.492 ( 0.164 1.015 -2.122) 2.358 17.492 ( 0.164 1.015 2.122) 2.358 17.600 ( -0.417 -10.671 -1.647) 10.806 17.600 ( -0.417 -10.671 1.647) 10.806 18.694 ( -0.444 -14.712 -2.302) 14.898 18.694 ( -0.444 -14.712 2.302) 14.898 18.834 ( 0.024 -20.126 -0.821) 20.143 18.834 ( 0.024 -20.126 0.821) 20.143 20.712 ( 1.694 -16.220 -1.512) 16.378 20.712 ( 1.694 -16.220 1.512) 16.378 20.919 ( -3.581 -15.270 -1.275) 15.736 20.919 ( -3.581 -15.270 1.275) 15.736 23.361 ( 3.962 24.666 -0.975) 25.001 23.361 ( 3.962 24.666 0.975) 25.001 23.461 ( -2.725 22.877 -2.715) 23.198 23.461 ( -2.725 22.877 2.715) 23.198 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 0.000 24.102 -5.492) 24.719 2.527 ( 0.000 24.102 5.492) 24.719 2.720 ( 0.000 27.056 -4.479) 27.424 2.720 ( 0.000 27.056 4.479) 27.424 3.026 ( 0.000 13.999 -2.703) 14.257 3.026 ( 0.000 13.999 2.703) 14.257 3.317 ( 0.000 5.929 -3.926) 7.111 3.317 ( 0.000 5.929 3.926) 7.111 3.728 ( 0.000 7.303 -0.788) 7.345 3.728 ( 0.000 7.303 0.788) 7.345 3.863 ( 0.000 17.488 -5.722) 18.400 3.863 ( 0.000 17.488 5.722) 18.400 4.069 ( 0.000 11.980 -2.746) 12.291 4.069 ( 0.000 11.980 2.746) 12.291 4.347 ( 0.000 12.933 -5.670) 14.121 4.347 ( 0.000 12.933 5.670) 14.121 4.535 ( 0.000 4.318 -6.618) 7.902 4.535 ( 0.000 4.318 6.618) 7.902 4.706 ( 0.000 0.025 -11.483) 11.483 4.706 ( 0.000 0.025 11.483) 11.483 5.021 ( 0.000 2.581 -9.584) 9.926 5.021 ( 0.000 2.581 9.584) 9.926 5.559 ( 0.000 9.342 -7.395) 11.915 5.559 ( 0.000 9.342 7.395) 11.915 5.681 ( 0.000 20.909 -10.715) 23.495 5.681 ( 0.000 20.909 10.715) 23.495 5.794 ( 0.000 4.679 -0.964) 4.777 5.794 ( 0.000 4.679 0.964) 4.777 6.006 ( 0.000 17.199 -3.685) 17.590 6.006 ( 0.000 17.199 3.685) 17.590 6.096 ( 0.000 1.764 -4.794) 5.108 6.096 ( 0.000 1.764 4.794) 5.108 6.368 ( 0.000 -0.122 -2.098) 2.102 6.368 ( 0.000 -0.122 2.098) 2.102 6.523 ( 0.000 3.948 -4.972) 6.349 6.523 ( 0.000 3.948 4.972) 6.349 6.992 ( 0.000 -1.558 -8.364) 8.508 6.992 ( 0.000 -1.558 8.364) 8.508 7.264 ( 0.000 8.202 -0.818) 8.243 7.264 ( 0.000 8.202 0.818) 8.243 7.840 ( 0.000 7.382 -1.203) 7.479 7.840 ( 0.000 7.382 1.203) 7.479 8.107 ( 0.000 -5.538 -3.960) 6.808 8.107 ( 0.000 -5.538 3.960) 6.808 8.563 ( 0.000 0.358 -6.735) 6.744 8.563 ( 0.000 0.358 6.735) 6.744 8.631 ( 0.000 12.460 -5.627) 13.672 8.631 ( 0.000 12.460 5.627) 13.672 8.968 ( 0.000 -23.800 -10.200) 25.893 8.968 ( 0.000 -23.800 10.200) 25.893 9.086 ( 0.000 -11.892 -7.246) 13.926 9.086 ( 0.000 -11.892 7.246) 13.926 9.092 ( 0.000 -12.898 -11.281) 17.135 9.092 ( 0.000 -12.898 11.281) 17.135 9.459 ( 0.000 2.706 -0.667) 2.787 9.459 ( 0.000 2.706 0.667) 2.787 10.264 ( 0.000 -0.986 -2.730) 2.902 10.264 ( 0.000 -0.986 2.730) 2.902 10.334 ( 0.000 -3.516 -7.736) 8.497 10.334 ( 0.000 -3.516 7.736) 8.497 10.954 ( 0.000 8.140 -8.847) 12.022 10.954 ( 0.000 8.140 8.847) 12.022 11.087 ( 0.000 -1.297 -10.919) 10.995 11.087 ( 0.000 -1.297 10.919) 10.995 11.857 ( 0.000 -0.824 -8.889) 8.927 11.857 ( 0.000 -0.824 8.889) 8.927 12.328 ( 0.000 1.778 -4.009) 4.386 12.328 ( 0.000 1.778 4.009) 4.386 12.420 ( 0.000 3.144 -24.771) 24.970 12.420 ( 0.000 3.144 24.771) 24.970 12.995 ( 0.000 -3.925 -7.505) 8.470 12.995 ( 0.000 -3.925 7.505) 8.470 14.295 ( 0.000 -3.982 -16.519) 16.992 14.295 ( 0.000 -3.982 16.519) 16.992 14.709 ( 0.000 -14.511 -10.386) 17.845 14.709 ( 0.000 -14.511 10.386) 17.845 15.261 ( 0.000 6.041 -12.453) 13.841 15.261 ( 0.000 6.041 12.453) 13.841 15.553 ( 0.000 3.776 -5.320) 6.524 15.553 ( 0.000 3.776 5.320) 6.524 17.466 ( 0.000 -0.241 -0.225) 0.330 17.466 ( 0.000 -0.241 0.225) 0.330 17.569 ( 0.000 3.233 -2.728) 4.230 17.569 ( 0.000 3.233 2.728) 4.230 18.402 ( 0.000 -18.277 -5.873) 19.197 18.402 ( 0.000 -18.277 5.873) 19.197 18.537 ( 0.000 -10.985 -7.664) 13.394 18.537 ( 0.000 -10.985 7.664) 13.394 20.291 ( 0.000 -19.184 -4.332) 19.667 20.291 ( 0.000 -19.184 4.332) 19.667 20.700 ( 0.000 -19.353 -1.061) 19.382 20.700 ( 0.000 -19.353 1.061) 19.382 23.711 ( 0.000 21.533 -0.736) 21.545 23.711 ( 0.000 21.533 0.736) 21.545 23.916 ( 0.000 17.642 -3.146) 17.921 23.916 ( 0.000 17.642 3.146) 17.921 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 4.450 22.560 -6.092) 23.788 2.572 ( 4.450 22.560 6.092) 23.788 2.738 ( 2.017 24.842 -4.334) 25.298 2.738 ( 2.017 24.842 4.334) 25.298 2.992 ( -3.600 15.136 -3.069) 15.858 2.992 ( -3.600 15.136 3.069) 15.858 3.167 ( -12.171 7.625 -4.869) 15.165 3.167 ( -12.171 7.625 4.869) 15.165 3.796 ( 3.645 12.396 -2.117) 13.093 3.796 ( 3.645 12.396 2.117) 13.093 3.854 ( -0.317 15.330 -4.812) 16.070 3.854 ( -0.317 15.330 4.812) 16.070 4.100 ( 3.544 9.355 -4.166) 10.837 4.100 ( 3.544 9.355 4.166) 10.837 4.360 ( 1.263 10.906 -4.136) 11.732 4.360 ( 1.263 10.906 4.136) 11.732 4.560 ( 1.391 4.755 -4.630) 6.781 4.560 ( 1.391 4.755 4.630) 6.781 4.719 ( 1.095 2.385 -10.645) 10.964 4.719 ( 1.095 2.385 10.645) 10.964 5.070 ( 5.403 1.191 -10.733) 12.075 5.070 ( 5.403 1.191 10.733) 12.075 5.511 ( -3.927 12.169 -8.429) 15.315 5.511 ( -3.927 12.169 8.429) 15.315 5.627 ( -4.381 12.966 -8.628) 16.178 5.627 ( -4.381 12.966 8.628) 16.178 5.829 ( 0.807 11.616 -2.261) 11.861 5.829 ( 0.807 11.616 2.261) 11.861 6.019 ( 1.944 14.297 -3.055) 14.749 6.019 ( 1.944 14.297 3.055) 14.749 6.090 ( -0.544 4.439 -4.670) 6.466 6.090 ( -0.544 4.439 4.670) 6.466 6.364 ( 0.881 -0.551 -3.458) 3.611 6.364 ( 0.881 -0.551 3.458) 3.611 6.558 ( 2.026 0.310 -4.391) 4.846 6.558 ( 2.026 0.310 4.391) 4.846 6.990 ( -0.177 1.089 -6.680) 6.771 6.990 ( -0.177 1.089 6.680) 6.771 7.235 ( -2.488 7.609 -1.069) 8.076 7.235 ( -2.488 7.609 1.069) 8.076 7.833 ( 0.601 7.661 -5.977) 9.735 7.833 ( 0.601 7.661 5.977) 9.735 8.105 ( -1.963 -2.152 -3.559) 4.599 8.105 ( -1.963 -2.152 3.559) 4.599 8.597 ( 0.028 3.325 -2.251) 4.015 8.597 ( 0.028 3.325 2.251) 4.015 8.612 ( 2.025 2.697 -6.327) 7.170 8.612 ( 2.025 2.697 6.327) 7.170 8.952 ( -1.396 -21.060 -10.356) 23.510 8.952 ( -1.396 -21.060 10.356) 23.510 9.066 ( -2.019 -23.656 -11.637) 26.440 9.066 ( -2.019 -23.656 11.637) 26.440 9.128 ( 4.186 1.498 -5.904) 7.391 9.128 ( 4.186 1.498 5.904) 7.391 9.557 ( 7.962 0.506 -2.458) 8.348 9.557 ( 7.962 0.506 2.458) 8.348 10.166 ( -4.121 0.037 -6.876) 8.017 10.166 ( -4.121 0.037 6.876) 8.017 10.459 ( 7.403 -2.155 -7.300) 10.618 10.459 ( 7.403 -2.155 7.300) 10.618 10.818 ( -10.469 4.467 -9.460) 14.801 10.818 ( -10.469 4.467 9.460) 14.801 11.117 ( -0.118 -0.762 -9.113) 9.146 11.117 ( -0.118 -0.762 9.113) 9.146 11.854 ( -0.263 0.421 -8.529) 8.543 11.854 ( -0.263 0.421 8.529) 8.543 12.177 ( -8.659 2.640 -7.249) 11.597 12.177 ( -8.659 2.640 7.249) 11.597 12.540 ( 5.981 2.358 -12.628) 14.170 12.540 ( 5.981 2.358 12.628) 14.170 12.986 ( -0.793 -4.276 -6.510) 7.829 12.986 ( -0.793 -4.276 6.510) 7.829 14.333 ( 3.648 -4.240 -14.681) 15.710 14.333 ( 3.648 -4.240 14.681) 15.710 14.702 ( -0.812 -13.703 -9.599) 16.750 14.702 ( -0.812 -13.703 9.599) 16.750 15.256 ( -0.453 5.974 -9.750) 11.443 15.256 ( -0.453 5.974 9.750) 11.443 15.554 ( 0.161 3.626 -3.950) 5.364 15.554 ( 0.161 3.626 3.950) 5.364 17.475 ( 0.883 -0.097 -0.564) 1.053 17.475 ( 0.883 -0.097 0.564) 1.053 17.561 ( -0.833 3.083 -2.634) 4.140 17.561 ( -0.833 3.083 2.634) 4.140 18.407 ( 0.481 -17.090 -5.254) 17.886 18.407 ( 0.481 -17.090 5.254) 17.886 18.521 ( -1.494 -12.109 -6.740) 13.939 18.521 ( -1.494 -12.109 6.740) 13.939 20.316 ( 2.476 -18.746 -3.944) 19.315 20.316 ( 2.476 -18.746 3.944) 19.315 20.661 ( -3.855 -19.097 -1.425) 19.535 20.661 ( -3.855 -19.097 1.425) 19.535 23.737 ( 2.484 20.973 -0.401) 21.123 23.737 ( 2.484 20.973 0.401) 21.123 23.904 ( -1.340 17.855 -2.773) 18.119 23.904 ( -1.340 17.855 2.773) 18.119 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 5.989 18.250 -5.548) 19.993 2.679 ( 5.989 18.250 5.548) 19.993 2.795 ( 3.508 20.750 -3.821) 21.389 2.795 ( 3.508 20.750 3.821) 21.389 2.897 ( -5.855 16.132 -3.132) 17.445 2.897 ( -5.855 16.132 3.132) 17.445 2.954 ( -8.089 13.476 -4.246) 16.281 2.954 ( -8.089 13.476 4.246) 16.281 3.829 ( 0.811 18.772 -2.258) 18.925 3.829 ( 0.811 18.772 2.258) 18.925 3.856 ( -0.084 13.250 -1.440) 13.329 3.856 ( -0.084 13.250 1.440) 13.329 4.180 ( 3.391 6.291 -3.104) 7.792 4.180 ( 3.391 6.291 3.104) 7.792 4.381 ( 0.568 6.821 -2.767) 7.382 4.381 ( 0.568 6.821 2.767) 7.382 4.561 ( -0.742 6.672 -2.652) 7.218 4.561 ( -0.742 6.672 2.652) 7.218 4.737 ( 0.584 4.113 -4.490) 6.117 4.737 ( 0.584 4.113 4.490) 6.117 5.211 ( 8.087 -0.865 -9.453) 12.470 5.211 ( 8.087 -0.865 9.453) 12.470 5.413 ( -6.463 8.457 -8.568) 13.663 5.413 ( -6.463 8.457 8.568) 13.663 5.573 ( -0.671 18.006 -3.139) 18.290 5.573 ( -0.671 18.006 3.139) 18.290 5.791 ( -2.914 13.514 -2.127) 13.988 5.791 ( -2.914 13.514 2.127) 13.988 6.063 ( 0.880 2.707 -1.480) 3.209 6.063 ( 0.880 2.707 1.480) 3.209 6.096 ( 1.568 15.042 -0.947) 15.153 6.096 ( 1.568 15.042 0.947) 15.153 6.398 ( 1.731 -0.062 -1.569) 2.338 6.398 ( 1.731 -0.062 1.569) 2.338 6.570 ( -0.446 -5.872 -1.891) 6.185 6.570 ( -0.446 -5.872 1.891) 6.185 6.988 ( -0.028 6.890 -2.876) 7.466 6.988 ( -0.028 6.890 2.876) 7.466 7.195 ( -1.267 5.722 -1.379) 6.020 7.195 ( -1.267 5.722 1.379) 6.020 7.889 ( 5.249 7.099 -5.128) 10.210 7.889 ( 5.249 7.099 5.128) 10.210 8.013 ( -6.800 3.866 -3.450) 8.549 8.013 ( -6.800 3.866 3.450) 8.549 8.595 ( 0.684 0.866 -3.879) 4.033 8.595 ( 0.684 0.866 3.879) 4.033 8.659 ( 0.944 -1.792 -7.212) 7.492 8.659 ( 0.944 -1.792 7.212) 7.492 8.938 ( 0.116 -23.982 -7.987) 25.278 8.938 ( 0.116 -23.982 7.987) 25.278 9.027 ( -1.580 -21.319 -7.039) 22.506 9.027 ( -1.580 -21.319 7.039) 22.506 9.220 ( 3.908 6.307 -2.530) 7.839 9.220 ( 3.908 6.307 2.530) 7.839 9.653 ( 1.081 -3.873 -1.617) 4.334 9.653 ( 1.081 -3.873 1.617) 4.334 10.204 ( 8.383 5.060 -6.306) 11.647 10.204 ( 8.383 5.060 6.306) 11.647 10.469 ( -9.464 3.584 -3.202) 10.614 10.469 ( -9.464 3.584 3.202) 10.614 10.710 ( 2.055 -3.485 -4.229) 5.853 10.710 ( 2.055 -3.485 4.229) 5.853 11.064 ( -3.890 -3.383 -4.524) 6.859 11.064 ( -3.890 -3.383 4.524) 6.859 11.850 ( -0.058 3.888 -3.583) 5.287 11.850 ( -0.058 3.888 3.583) 5.287 12.063 ( -3.018 1.281 -4.073) 5.229 12.063 ( -3.018 1.281 4.073) 5.229 12.612 ( 1.806 2.124 -5.138) 5.846 12.612 ( 1.806 2.124 5.138) 5.846 12.972 ( -0.479 -4.492 -2.812) 5.321 12.972 ( -0.479 -4.492 2.812) 5.321 14.406 ( 2.938 -4.915 -7.316) 9.291 14.406 ( 2.938 -4.915 7.316) 9.291 14.679 ( -1.243 -11.992 -5.285) 13.164 14.679 ( -1.243 -11.992 5.285) 13.164 15.248 ( -0.237 5.643 -3.531) 6.661 15.248 ( -0.237 5.643 3.531) 6.661 15.557 ( 0.108 3.410 -1.299) 3.651 15.557 ( 0.108 3.410 1.299) 3.651 17.495 ( 1.012 0.022 -0.880) 1.341 17.495 ( 1.012 0.022 0.880) 1.341 17.542 ( -0.985 2.960 -1.716) 3.560 17.542 ( -0.985 2.960 1.716) 3.560 18.419 ( 0.646 -13.963 -2.881) 14.272 18.419 ( 0.646 -13.963 2.881) 14.272 18.491 ( -1.268 -15.137 -3.484) 15.584 18.491 ( -1.268 -15.137 3.484) 15.584 20.374 ( 2.868 -17.899 -2.251) 18.267 20.374 ( 2.868 -17.899 2.251) 18.267 20.578 ( -3.701 -18.860 -1.342) 19.267 20.578 ( -3.701 -18.860 1.342) 19.267 23.794 ( 3.022 19.701 -0.515) 19.938 23.794 ( 3.022 19.701 0.515) 19.938 23.867 ( -2.328 18.587 -1.668) 18.807 23.867 ( -2.328 18.587 1.668) 18.807 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 0.000 20.553 -1.037) 20.579 2.965 ( 0.000 20.553 1.037) 20.579 3.213 ( 0.000 23.114 -1.339) 23.153 3.213 ( 0.000 23.114 1.339) 23.153 3.288 ( 0.000 12.394 -2.953) 12.741 3.288 ( 0.000 12.394 2.953) 12.741 3.427 ( 0.000 6.668 -0.290) 6.675 3.427 ( 0.000 6.668 0.290) 6.675 3.812 ( 0.000 1.852 -3.079) 3.593 3.812 ( 0.000 1.852 3.079) 3.593 4.178 ( 0.000 14.341 -3.557) 14.776 4.178 ( 0.000 14.341 3.557) 14.776 4.318 ( 0.000 12.167 -2.465) 12.414 4.318 ( 0.000 12.167 2.465) 12.414 4.508 ( 0.000 3.530 -1.149) 3.712 4.508 ( 0.000 3.530 1.149) 3.712 4.551 ( 0.000 -1.046 -0.869) 1.360 4.551 ( 0.000 -1.046 0.869) 1.360 4.729 ( 0.000 1.900 -15.645) 15.760 4.729 ( 0.000 1.900 15.645) 15.760 4.963 ( 0.000 -6.991 -5.309) 8.778 4.963 ( 0.000 -6.991 5.309) 8.778 5.701 ( 0.000 -3.074 -1.482) 3.413 5.701 ( 0.000 -3.074 1.482) 3.413 5.743 ( 0.000 4.308 -6.505) 7.802 5.743 ( 0.000 4.308 6.505) 7.802 5.981 ( 0.000 0.477 -3.263) 3.298 5.981 ( 0.000 0.477 3.263) 3.298 6.136 ( 0.000 5.904 -7.889) 9.853 6.136 ( 0.000 5.904 7.889) 9.853 6.304 ( 0.000 16.236 -5.663) 17.195 6.304 ( 0.000 16.236 5.663) 17.195 6.486 ( 0.000 8.180 -0.014) 8.180 6.486 ( 0.000 8.180 0.014) 8.180 6.658 ( 0.000 9.356 -8.647) 12.740 6.658 ( 0.000 9.356 8.647) 12.740 6.983 ( 0.000 1.948 -1.951) 2.756 6.983 ( 0.000 1.948 1.951) 2.756 7.488 ( 0.000 12.762 -0.126) 12.763 7.488 ( 0.000 12.762 0.126) 12.763 7.930 ( 0.000 -2.959 -12.217) 12.570 7.930 ( 0.000 -2.959 12.217) 12.570 7.995 ( 0.000 -3.056 -2.978) 4.267 7.995 ( 0.000 -3.056 2.978) 4.267 8.373 ( 0.000 -18.223 -12.299) 21.985 8.373 ( 0.000 -18.223 12.299) 21.985 8.644 ( 0.000 -7.822 -2.785) 8.303 8.644 ( 0.000 -7.822 2.785) 8.303 8.732 ( 0.000 -8.885 -3.343) 9.493 8.732 ( 0.000 -8.885 3.343) 9.493 8.835 ( 0.000 6.708 -1.723) 6.926 8.835 ( 0.000 6.708 1.723) 6.926 9.142 ( 0.000 5.046 -4.952) 7.069 9.142 ( 0.000 5.046 4.952) 7.069 9.496 ( 0.000 0.943 -0.127) 0.951 9.496 ( 0.000 0.943 0.127) 0.951 10.269 ( 0.000 0.429 -1.768) 1.819 10.269 ( 0.000 0.429 1.768) 1.819 10.292 ( 0.000 -0.135 -4.865) 4.867 10.292 ( 0.000 -0.135 4.865) 4.867 10.952 ( 0.000 -7.712 -8.339) 11.358 10.952 ( 0.000 -7.712 8.339) 11.358 11.176 ( 0.000 8.531 -2.245) 8.821 11.176 ( 0.000 8.531 2.245) 8.821 11.864 ( 0.000 2.479 -7.860) 8.242 11.864 ( 0.000 2.479 7.860) 8.242 12.329 ( 0.000 -0.973 -7.349) 7.413 12.329 ( 0.000 -0.973 7.349) 7.413 12.557 ( 0.000 9.002 -15.990) 18.350 12.557 ( 0.000 9.002 15.990) 18.350 12.899 ( 0.000 -5.244 -6.599) 8.429 12.899 ( 0.000 -5.244 6.599) 8.429 14.183 ( 0.000 -7.110 -15.139) 16.726 14.183 ( 0.000 -7.110 15.139) 16.726 14.433 ( 0.000 -13.357 -8.974) 16.092 14.433 ( 0.000 -13.357 8.974) 16.092 15.395 ( 0.000 7.111 -9.917) 12.203 15.395 ( 0.000 7.111 9.917) 12.203 15.596 ( 0.000 1.202 -7.375) 7.472 15.596 ( 0.000 1.202 7.375) 7.472 17.505 ( 0.000 3.548 -5.307) 6.384 17.505 ( 0.000 3.548 5.307) 6.384 17.658 ( 0.000 5.076 -6.029) 7.881 17.658 ( 0.000 5.076 6.029) 7.881 18.096 ( 0.000 -12.673 -6.803) 14.383 18.096 ( 0.000 -12.673 6.803) 14.383 18.336 ( 0.000 -9.898 -8.390) 12.976 18.336 ( 0.000 -9.898 8.390) 12.976 19.956 ( 0.000 -14.993 -4.102) 15.544 19.956 ( 0.000 -14.993 4.102) 15.544 20.335 ( 0.000 -17.779 -0.578) 17.789 20.335 ( 0.000 -17.779 0.578) 17.789 24.061 ( 0.000 14.490 -0.524) 14.499 24.061 ( 0.000 14.490 0.524) 14.499 24.201 ( 0.000 11.839 -1.700) 11.960 24.201 ( 0.000 11.839 1.700) 11.960 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 2.344 19.859 -2.368) 20.137 2.990 ( 2.344 19.859 2.368) 20.137 3.181 ( -2.395 19.813 -1.367) 20.004 3.181 ( -2.395 19.813 1.367) 20.004 3.259 ( -4.112 11.949 -3.962) 13.243 3.259 ( -4.112 11.949 3.962) 13.243 3.350 ( -4.923 12.741 -2.543) 13.894 3.350 ( -4.923 12.741 2.543) 13.894 3.910 ( 7.699 0.988 -2.847) 8.268 3.910 ( 7.699 0.988 2.847) 8.268 4.134 ( -2.958 11.412 -2.032) 11.963 4.134 ( -2.958 11.412 2.032) 11.963 4.326 ( 0.511 12.732 -3.723) 13.275 4.326 ( 0.511 12.732 3.723) 13.275 4.482 ( -1.127 2.407 -1.914) 3.275 4.482 ( -1.127 2.407 1.914) 3.275 4.622 ( 4.366 1.901 -5.082) 6.965 4.622 ( 4.366 1.901 5.082) 6.965 4.760 ( 1.784 1.862 -11.713) 11.993 4.760 ( 1.784 1.862 11.713) 11.993 4.986 ( 3.521 -8.141 -7.089) 11.355 4.986 ( 3.521 -8.141 7.089) 11.355 5.660 ( -6.154 -1.019 -3.915) 7.365 5.660 ( -6.154 -1.019 3.915) 7.365 5.724 ( 1.055 4.094 -2.404) 4.863 5.724 ( 1.055 4.094 2.404) 4.863 6.001 ( 1.488 1.526 -2.347) 3.170 6.001 ( 1.488 1.526 2.347) 3.170 6.138 ( -1.557 5.401 -5.162) 7.631 6.138 ( -1.557 5.401 5.162) 7.631 6.281 ( -0.072 12.515 -1.121) 12.565 6.281 ( -0.072 12.515 1.121) 12.565 6.499 ( 0.812 8.700 -0.742) 8.769 6.499 ( 0.812 8.700 0.742) 8.769 6.612 ( -3.782 7.099 -6.619) 10.417 6.612 ( -3.782 7.099 6.619) 10.417 7.056 ( 6.384 5.565 -3.364) 9.113 7.056 ( 6.384 5.565 3.364) 9.113 7.445 ( -4.132 12.200 -1.144) 12.932 7.445 ( -4.132 12.200 1.144) 12.932 7.945 ( 1.542 -0.025 -10.116) 10.233 7.945 ( 1.542 -0.025 10.116) 10.233 8.013 ( 1.393 -5.788 -6.046) 8.485 8.013 ( 1.393 -5.788 6.046) 8.485 8.381 ( 0.891 -18.357 -11.351) 21.601 8.381 ( 0.891 -18.357 11.351) 21.601 8.591 ( -4.929 -6.691 -4.733) 9.564 8.591 ( -4.929 -6.691 4.733) 9.564 8.716 ( -1.173 -4.690 -4.275) 6.454 8.716 ( -1.173 -4.690 4.275) 6.454 8.826 ( -0.607 1.688 -2.939) 3.443 8.826 ( -0.607 1.688 2.939) 3.443 9.216 ( 6.634 5.802 -6.441) 10.916 9.216 ( 6.634 5.802 6.441) 10.916 9.563 ( 5.285 -0.014 -1.117) 5.402 9.563 ( 5.285 -0.014 1.117) 5.402 10.206 ( -0.819 3.416 -8.522) 9.217 10.206 ( -0.819 3.416 8.522) 9.217 10.418 ( 8.421 -1.942 -9.275) 12.677 10.418 ( 8.421 -1.942 9.275) 12.677 10.836 ( -10.691 -4.229 -10.241) 15.397 10.836 ( -10.691 -4.229 10.242) 15.397 11.147 ( -4.504 4.180 -8.369) 10.383 11.147 ( -4.504 4.180 8.369) 10.383 11.870 ( 1.206 1.823 -5.930) 6.320 11.870 ( 1.206 1.823 5.930) 6.320 12.225 ( -7.992 1.442 -8.794) 11.970 12.225 ( -7.992 1.442 8.794) 11.970 12.627 ( 4.547 6.446 -11.732) 14.138 12.627 ( 4.547 6.446 11.732) 14.138 12.902 ( 0.386 -3.790 -5.967) 7.079 12.902 ( 0.386 -3.790 5.967) 7.079 14.208 ( 2.396 -7.854 -13.195) 15.541 14.208 ( 2.396 -7.854 13.195) 15.541 14.435 ( 0.099 -13.285 -8.209) 15.617 14.435 ( 0.099 -13.285 8.209) 15.617 15.393 ( -0.191 7.360 -7.935) 10.824 15.393 ( -0.191 7.360 7.935) 10.824 15.596 ( 0.046 1.168 -5.869) 5.984 15.596 ( 0.046 1.168 5.869) 5.984 17.517 ( 1.185 3.651 -5.283) 6.530 17.517 ( 1.185 3.651 5.283) 6.530 17.643 ( -1.463 4.618 -5.914) 7.645 17.643 ( -1.463 4.618 5.914) 7.645 18.117 ( 2.097 -12.077 -6.674) 13.956 18.117 ( 2.097 -12.077 6.674) 13.956 18.310 ( -2.591 -9.978 -8.050) 13.080 18.310 ( -2.591 -9.978 8.050) 13.080 19.984 ( 2.834 -14.992 -3.733) 15.707 19.984 ( 2.834 -14.992 3.733) 15.707 20.300 ( -3.411 -17.515 -1.108) 17.878 20.300 ( -3.411 -17.515 1.108) 17.878 24.078 ( 1.601 14.146 -0.391) 14.242 24.078 ( 1.601 14.146 0.391) 14.242 24.192 ( -0.894 12.005 -1.500) 12.131 24.192 ( -0.894 12.005 1.500) 12.131 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 2.044 17.805 -2.876) 18.151 3.036 ( 2.044 17.805 2.876) 18.151 3.128 ( -3.496 13.753 -0.997) 14.226 3.128 ( -3.496 13.753 0.997) 14.226 3.198 ( 0.177 16.770 -2.381) 16.939 3.198 ( 0.177 16.770 2.381) 16.939 3.273 ( -3.467 17.032 -1.540) 17.449 3.273 ( -3.467 17.032 1.540) 17.449 4.037 ( 4.635 3.793 -1.589) 6.197 4.037 ( 4.635 3.793 1.589) 6.197 4.096 ( -1.215 6.976 -0.704) 7.116 4.096 ( -1.215 6.976 0.704) 7.116 4.333 ( 0.245 11.811 -1.985) 11.979 4.333 ( 0.245 11.811 1.985) 11.979 4.467 ( -0.469 2.610 -1.488) 3.041 4.467 ( -0.469 2.610 1.488) 3.041 4.675 ( 1.071 4.366 -4.034) 6.040 4.675 ( 1.071 4.366 4.034) 6.040 4.768 ( -0.239 -0.760 -4.295) 4.369 4.768 ( -0.239 -0.760 4.295) 4.369 5.092 ( 5.324 -9.024 -5.449) 11.810 5.092 ( 5.324 -9.024 5.449) 11.810 5.530 ( -5.546 4.149 -2.954) 7.530 5.530 ( -5.546 4.149 2.954) 7.530 5.766 ( 2.438 0.323 -0.523) 2.515 5.766 ( 2.438 0.323 0.523) 2.515 5.998 ( -2.163 7.242 -0.552) 7.578 5.998 ( -2.163 7.242 0.552) 7.578 6.093 ( -0.971 5.005 -2.000) 5.477 6.093 ( -0.971 5.005 2.000) 5.477 6.318 ( 2.179 4.114 -2.597) 5.331 6.318 ( 2.179 4.114 2.597) 5.331 6.511 ( 0.774 8.285 -1.531) 8.461 6.511 ( 0.774 8.285 1.531) 8.461 6.544 ( -2.914 7.329 -4.279) 8.973 6.544 ( -2.914 7.329 4.279) 8.973 7.184 ( 6.164 10.950 -3.511) 13.047 7.184 ( 6.164 10.950 3.511) 13.047 7.350 ( -5.156 9.741 -2.551) 11.313 7.350 ( -5.156 9.741 2.551) 11.313 7.981 ( 1.822 -0.961 -4.949) 5.360 7.981 ( 1.822 -0.961 4.949) 5.360 8.027 ( -0.092 -4.258 -4.207) 5.986 8.027 ( -0.092 -4.258 4.207) 5.986 8.405 ( 1.404 -15.864 -8.135) 17.883 8.405 ( 1.404 -15.864 8.135) 17.883 8.498 ( -3.775 -9.335 -6.463) 11.965 8.498 ( -3.775 -9.335 6.463) 11.965 8.704 ( -0.113 -0.449 -2.781) 2.820 8.704 ( -0.113 -0.449 2.781) 2.820 8.811 ( -0.722 -2.065 -1.580) 2.698 8.811 ( -0.722 -2.065 1.580) 2.698 9.348 ( 5.600 5.894 -3.404) 8.815 9.348 ( 5.600 5.894 3.404) 8.815 9.611 ( -0.614 -0.228 -0.777) 1.016 9.611 ( -0.614 -0.228 0.777) 1.016 10.303 ( 11.247 4.223 -8.925) 14.966 10.303 ( 11.247 4.223 8.925) 14.966 10.545 ( -5.578 2.777 -7.606) 9.832 10.545 ( -5.578 2.777 7.606) 9.832 10.627 ( -1.660 -4.190 -8.272) 9.420 10.627 ( -1.660 -4.190 8.272) 9.420 11.011 ( -7.421 -2.152 -6.505) 10.100 11.011 ( -7.421 -2.152 6.505) 10.100 11.921 ( 3.595 2.990 -3.884) 6.078 11.921 ( 3.595 2.990 3.884) 6.078 12.083 ( -6.018 0.649 -6.469) 8.860 12.083 ( -6.018 0.649 6.469) 8.860 12.685 ( 1.517 5.386 -4.347) 7.086 12.685 ( 1.517 5.386 4.347) 7.086 12.911 ( 0.355 -1.531 -2.498) 2.952 12.911 ( 0.355 -1.531 2.498) 2.952 14.254 ( 1.788 -9.282 -6.146) 11.275 14.254 ( 1.788 -9.282 6.146) 11.275 14.432 ( -0.256 -12.933 -4.242) 13.613 14.432 ( -0.256 -12.933 4.242) 13.613 15.390 ( -0.131 7.777 -2.972) 8.327 15.390 ( -0.131 7.777 2.972) 8.327 15.597 ( 0.039 1.101 -2.176) 2.439 15.597 ( 0.039 1.101 2.176) 2.439 17.545 ( 1.465 4.104 -4.067) 5.961 17.545 ( 1.465 4.104 4.067) 5.961 17.610 ( -1.628 3.659 -4.334) 5.902 17.610 ( -1.628 3.659 4.334) 5.902 18.171 ( 3.445 -10.861 -6.533) 13.135 18.171 ( 3.445 -10.861 6.533) 13.135 18.246 ( -3.758 -10.425 -7.118) 13.171 18.246 ( -3.758 -10.425 7.118) 13.171 20.050 ( 3.300 -14.943 -2.228) 15.464 20.050 ( 3.300 -14.943 2.228) 15.464 20.224 ( -3.654 -17.142 -1.296) 17.575 20.224 ( -3.654 -17.142 1.296) 17.575 24.114 ( 1.817 13.350 -0.323) 13.477 24.114 ( 1.817 13.350 0.323) 13.477 24.169 ( -1.384 12.519 -0.867) 12.625 24.169 ( -1.384 12.519 0.867) 12.625 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 0.000 11.871 -0.944) 11.908 3.289 ( 0.000 11.871 0.944) 11.908 3.423 ( 0.000 4.661 -0.400) 4.678 3.423 ( 0.000 4.661 0.400) 4.678 3.558 ( 0.000 7.455 -2.147) 7.758 3.558 ( 0.000 7.455 2.147) 7.758 3.664 ( 0.000 17.831 -0.266) 17.833 3.664 ( 0.000 17.831 0.266) 17.833 3.845 ( 0.000 2.708 -2.685) 3.813 3.845 ( 0.000 2.708 2.685) 3.813 4.350 ( 0.000 -0.666 -3.044) 3.116 4.350 ( 0.000 -0.666 3.044) 3.116 4.438 ( 0.000 1.240 -2.405) 2.706 4.438 ( 0.000 1.240 2.405) 2.706 4.529 ( 0.000 3.217 -1.478) 3.540 4.529 ( 0.000 3.217 1.478) 3.540 4.593 ( 0.000 4.958 -4.734) 6.855 4.593 ( 0.000 4.958 4.734) 6.855 4.771 ( 0.000 -1.857 -5.114) 5.441 4.771 ( 0.000 -1.857 5.114) 5.441 4.804 ( 0.000 -4.885 -2.394) 5.440 4.804 ( 0.000 -4.885 2.394) 5.440 5.508 ( 0.000 -10.157 -3.643) 10.791 5.508 ( 0.000 -10.157 3.643) 10.791 5.873 ( 0.000 5.327 -2.997) 6.112 5.873 ( 0.000 5.327 2.997) 6.112 6.055 ( 0.000 4.964 -0.902) 5.045 6.055 ( 0.000 4.964 0.902) 5.045 6.186 ( 0.000 2.719 -3.391) 4.347 6.186 ( 0.000 2.719 3.391) 4.347 6.422 ( 0.000 -4.796 -1.862) 5.145 6.422 ( 0.000 -4.796 1.862) 5.145 6.693 ( 0.000 13.596 -4.962) 14.473 6.693 ( 0.000 13.596 4.962) 14.473 6.853 ( 0.000 7.825 -9.131) 12.025 6.853 ( 0.000 7.825 9.131) 12.025 7.069 ( 0.000 5.402 -2.705) 6.042 7.069 ( 0.000 5.402 2.705) 6.042 7.660 ( 0.000 0.873 -4.392) 4.478 7.660 ( 0.000 0.873 4.392) 4.478 7.784 ( 0.000 -7.361 -7.442) 10.467 7.784 ( 0.000 -7.361 7.443) 10.467 7.869 ( 0.000 -6.623 -2.044) 6.931 7.869 ( 0.000 -6.623 2.044) 6.931 8.224 ( 0.000 1.680 -2.968) 3.410 8.224 ( 0.000 1.680 2.968) 3.410 8.540 ( 0.000 -2.083 -0.074) 2.084 8.540 ( 0.000 -2.083 0.074) 2.084 8.639 ( 0.000 -4.038 -1.793) 4.418 8.639 ( 0.000 -4.038 1.793) 4.418 8.917 ( 0.000 2.216 -0.070) 2.217 8.917 ( 0.000 2.216 0.070) 2.217 9.271 ( 0.000 7.253 -3.893) 8.231 9.271 ( 0.000 7.253 3.893) 8.231 9.503 ( 0.000 -0.317 -1.146) 1.189 9.503 ( 0.000 -0.317 1.146) 1.189 10.234 ( 0.000 -1.864 -5.415) 5.727 10.234 ( 0.000 -1.864 5.415) 5.727 10.363 ( 0.000 5.238 -6.249) 8.154 10.363 ( 0.000 5.238 6.249) 8.154 10.763 ( 0.000 -10.558 -10.300) 14.750 10.763 ( 0.000 -10.558 10.300) 14.750 11.300 ( 0.000 3.883 -4.030) 5.597 11.300 ( 0.000 3.883 4.030) 5.597 11.962 ( 0.000 7.027 -5.801) 9.112 11.962 ( 0.000 7.027 5.801) 9.112 12.292 ( 0.000 -3.029 -5.313) 6.116 12.292 ( 0.000 -3.029 5.313) 6.116 12.674 ( 0.000 0.642 -5.629) 5.666 12.674 ( 0.000 0.642 5.629) 5.666 12.860 ( 0.000 3.173 -7.972) 8.581 12.860 ( 0.000 3.173 7.972) 8.581 14.039 ( 0.000 -7.033 -10.661) 12.772 14.039 ( 0.000 -7.033 10.661) 12.772 14.224 ( 0.000 -7.607 -5.148) 9.185 14.224 ( 0.000 -7.607 5.148) 9.185 15.512 ( 0.000 4.543 -5.736) 7.317 15.512 ( 0.000 4.543 5.736) 7.317 15.611 ( 0.000 0.428 -4.902) 4.920 15.611 ( 0.000 0.428 4.902) 4.920 17.578 ( 0.000 3.493 -5.746) 6.724 17.578 ( 0.000 3.493 5.746) 6.724 17.715 ( 0.000 -0.422 -4.158) 4.179 17.715 ( 0.000 -0.422 4.158) 4.179 17.956 ( 0.000 -0.899 -3.127) 3.254 17.956 ( 0.000 -0.899 3.127) 3.254 18.162 ( 0.000 -7.830 -7.850) 11.088 18.162 ( 0.000 -7.830 7.850) 11.088 19.730 ( 0.000 -8.045 -2.426) 8.403 19.730 ( 0.000 -8.045 2.426) 8.403 20.045 ( 0.000 -11.344 -0.288) 11.347 20.045 ( 0.000 -11.344 0.288) 11.347 24.269 ( 0.000 7.072 -0.225) 7.075 24.269 ( 0.000 7.072 0.225) 7.075 24.374 ( 0.000 6.036 -0.695) 6.076 24.374 ( 0.000 6.036 0.695) 6.076 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 0.447 10.464 -0.502) 10.486 3.293 ( 0.447 10.464 0.502) 10.486 3.426 ( 0.362 9.108 -1.779) 9.287 3.426 ( 0.362 9.108 1.779) 9.287 3.509 ( -3.929 9.819 -2.059) 10.775 3.509 ( -3.929 9.819 2.059) 10.775 3.643 ( -2.614 15.670 -0.580) 15.897 3.643 ( -2.614 15.670 0.580) 15.897 3.899 ( 5.095 -0.443 -3.227) 6.047 3.899 ( 5.095 -0.443 3.227) 6.047 4.248 ( -6.357 0.155 -1.809) 6.612 4.248 ( -6.357 0.155 1.809) 6.612 4.470 ( 0.758 0.935 -2.582) 2.849 4.470 ( 0.758 0.935 2.582) 2.849 4.519 ( 0.984 1.931 -0.174) 2.174 4.519 ( 0.984 1.931 0.174) 2.174 4.677 ( 3.614 3.362 -6.821) 8.420 4.677 ( 3.614 3.362 6.821) 8.420 4.758 ( -1.179 -4.020 -5.465) 6.885 4.758 ( -1.179 -4.020 5.465) 6.885 4.853 ( 6.279 -0.618 -13.080) 14.522 4.853 ( 6.279 -0.618 13.080) 14.522 5.496 ( -1.320 -10.255 -3.499) 10.916 5.496 ( -1.320 -10.255 3.499) 10.916 5.857 ( -1.514 6.796 -2.482) 7.392 5.857 ( -1.514 6.796 2.482) 7.392 6.090 ( 3.083 5.563 -1.043) 6.445 6.090 ( 3.083 5.563 1.043) 6.445 6.174 ( -1.354 1.648 -3.184) 3.832 6.174 ( -1.354 1.648 3.184) 3.832 6.386 ( -3.644 -3.941 -1.561) 5.590 6.386 ( -3.644 -3.941 1.561) 5.590 6.653 ( -2.110 10.319 -1.409) 10.627 6.653 ( -2.110 10.319 1.409) 10.627 6.805 ( -3.641 7.968 -6.439) 10.872 6.805 ( -3.641 7.968 6.439) 10.872 7.180 ( 9.114 6.249 -3.825) 11.694 7.180 ( 9.114 6.249 3.825) 11.694 7.622 ( -3.841 3.225 -4.326) 6.624 7.622 ( -3.841 3.225 4.326) 6.624 7.797 ( 1.129 -9.099 -6.698) 11.355 7.797 ( 1.129 -9.099 6.698) 11.355 7.860 ( -0.892 -8.158 -2.321) 8.529 7.860 ( -0.892 -8.158 2.321) 8.529 8.251 ( 2.640 2.481 -1.732) 4.015 8.251 ( 2.640 2.481 1.732) 4.015 8.514 ( -2.890 -1.025 -0.681) 3.141 8.514 ( -2.890 -1.025 0.681) 3.141 8.650 ( 1.574 -3.400 -2.724) 4.632 8.650 ( 1.574 -3.400 2.724) 4.632 8.876 ( -3.654 1.896 -1.114) 4.265 8.876 ( -3.654 1.896 1.114) 4.265 9.345 ( 6.472 6.984 -5.052) 10.779 9.345 ( 6.472 6.984 5.052) 10.779 9.560 ( 4.840 -0.609 -1.939) 5.249 9.560 ( 4.840 -0.609 1.939) 5.249 10.269 ( 2.862 2.738 -8.296) 9.193 10.269 ( 2.862 2.739 8.296) 9.193 10.399 ( 5.337 0.295 -8.794) 10.291 10.399 ( 5.337 0.295 8.794) 10.291 10.693 ( -6.808 -8.755 -9.934) 14.889 10.693 ( -6.808 -8.755 9.934) 14.889 11.229 ( -8.425 3.225 -5.057) 10.342 11.229 ( -8.425 3.225 5.057) 10.342 11.932 ( -1.228 4.271 -4.345) 6.216 11.932 ( -1.228 4.271 4.345) 6.216 12.219 ( -6.470 -1.852 -5.522) 8.705 12.219 ( -6.470 -1.852 5.522) 8.705 12.735 ( 4.695 2.652 -5.351) 7.596 12.735 ( 4.695 2.652 5.351) 7.596 12.879 ( 1.718 2.464 -7.206) 7.807 12.879 ( 1.718 2.464 7.206) 7.807 14.057 ( 1.799 -6.926 -9.717) 12.067 14.057 ( 1.799 -6.926 9.717) 12.068 14.218 ( -0.572 -8.335 -5.306) 9.897 14.218 ( -0.572 -8.335 5.306) 9.897 15.515 ( 0.244 4.781 -4.837) 6.806 15.515 ( 0.244 4.781 4.837) 6.806 15.610 ( -0.085 0.302 -4.150) 4.161 15.610 ( -0.085 0.302 4.150) 4.161 17.589 ( 1.143 3.341 -5.725) 6.727 17.589 ( 1.143 3.341 5.725) 6.727 17.699 ( -1.535 0.289 -4.703) 4.956 17.699 ( -1.535 0.289 4.703) 4.956 17.976 ( 2.016 -1.860 -3.802) 4.689 17.976 ( 2.016 -1.860 3.803) 4.689 18.141 ( -2.084 -7.265 -7.485) 10.637 18.141 ( -2.084 -7.265 7.485) 10.637 19.756 ( 2.668 -8.173 -2.257) 8.888 19.756 ( 2.668 -8.173 2.257) 8.889 20.015 ( -3.000 -11.168 -0.702) 11.586 20.015 ( -3.000 -11.168 0.702) 11.586 24.281 ( 1.201 6.974 -0.244) 7.081 24.281 ( 1.201 6.974 0.244) 7.081 24.367 ( -0.715 6.053 -0.636) 6.128 24.367 ( -0.715 6.053 0.636) 6.128 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 2.416 10.622 -1.748) 11.033 3.316 ( 2.416 10.622 1.748) 11.033 3.387 ( -4.426 11.948 -2.849) 13.056 3.387 ( -4.426 11.948 2.849) 13.056 3.492 ( 2.446 12.691 -1.249) 12.985 3.492 ( 2.446 12.691 1.249) 12.985 3.572 ( -4.109 13.495 -1.183) 14.156 3.572 ( -4.109 13.495 1.183) 14.156 4.011 ( 5.847 -4.012 -2.464) 7.507 4.011 ( 5.847 -4.012 2.464) 7.507 4.143 ( -4.937 -2.205 -1.768) 5.689 4.143 ( -4.937 -2.205 1.768) 5.689 4.480 ( 0.557 0.152 -1.991) 2.073 4.480 ( 0.557 0.152 1.991) 2.073 4.535 ( -0.030 5.167 -2.392) 5.694 4.535 ( -0.030 5.167 2.392) 5.694 4.706 ( 1.407 -3.841 -5.853) 7.140 4.706 ( 1.407 -3.841 5.853) 7.140 4.742 ( -1.211 0.677 -8.003) 8.122 4.742 ( -1.211 0.677 8.003) 8.122 4.989 ( 5.405 2.196 -6.575) 8.790 4.989 ( 5.405 2.196 6.575) 8.790 5.461 ( -1.768 -10.868 -2.689) 11.335 5.461 ( -1.768 -10.868 2.689) 11.335 5.829 ( -0.966 8.887 -0.983) 8.993 5.829 ( -0.966 8.887 0.983) 8.993 6.117 ( -1.242 3.651 -1.510) 4.141 6.117 ( -1.242 3.651 1.510) 4.141 6.166 ( 1.529 2.899 -1.310) 3.530 6.166 ( 1.529 2.899 1.310) 3.530 6.319 ( -2.331 -3.110 -1.222) 4.074 6.319 ( -2.331 -3.110 1.222) 4.074 6.656 ( 2.064 7.585 -1.718) 8.046 6.656 ( 2.064 7.585 1.718) 8.046 6.731 ( -3.821 6.940 -3.538) 8.676 6.731 ( -3.821 6.940 3.538) 8.676 7.361 ( 9.295 6.763 -3.190) 11.930 7.361 ( 9.295 6.763 3.190) 11.930 7.518 ( -7.029 6.014 -2.911) 9.698 7.518 ( -7.029 6.014 2.911) 9.698 7.819 ( 1.125 -10.756 -5.360) 12.070 7.819 ( 1.125 -10.756 5.360) 12.070 7.840 ( -1.089 -10.493 -3.944) 11.262 7.840 ( -1.089 -10.493 3.944) 11.262 8.313 ( 3.243 2.967 -0.283) 4.404 8.313 ( 3.243 2.967 0.283) 4.404 8.444 ( -3.577 0.867 -1.014) 3.818 8.444 ( -3.577 0.867 1.014) 3.818 8.701 ( 3.513 -0.949 -2.930) 4.671 8.701 ( 3.513 -0.949 2.930) 4.671 8.797 ( -4.233 -0.220 -1.941) 4.662 8.797 ( -4.233 -0.220 1.941) 4.662 9.464 ( 4.671 6.361 -3.192) 8.513 9.464 ( 4.671 6.361 3.192) 8.513 9.626 ( 1.209 0.570 -1.412) 1.944 9.626 ( 1.209 0.570 1.412) 1.944 10.348 ( 6.251 1.142 -6.841) 9.337 10.348 ( 6.251 1.142 6.841) 9.337 10.514 ( -6.590 -4.152 -7.649) 10.916 10.514 ( -6.590 -4.152 7.649) 10.916 10.610 ( 10.797 0.671 -8.346) 13.663 10.610 ( 10.797 0.671 8.346) 13.663 10.983 ( -15.287 -0.683 -5.484) 16.255 10.983 ( -15.287 -0.683 5.484) 16.255 11.964 ( 4.329 1.595 -3.457) 5.765 11.964 ( 4.329 1.595 3.457) 5.765 12.084 ( -6.972 -0.412 -4.749) 8.446 12.084 ( -6.972 -0.412 4.749) 8.446 12.802 ( 1.866 5.758 -2.403) 6.512 12.802 ( 1.866 5.758 2.403) 6.512 12.910 ( 1.101 0.962 -3.053) 3.385 12.910 ( 1.101 0.962 3.053) 3.385 14.094 ( 1.495 -6.320 -5.166) 8.299 14.094 ( 1.495 -6.320 5.166) 8.299 14.204 ( -0.737 -9.930 -3.505) 10.556 14.204 ( -0.737 -9.930 3.505) 10.556 15.519 ( 0.162 5.227 -1.991) 5.595 15.519 ( 0.162 5.227 1.991) 5.595 15.608 ( -0.063 0.040 -1.721) 1.722 15.608 ( -0.063 0.040 1.721) 1.722 17.619 ( 1.788 2.934 -5.234) 6.261 17.619 ( 1.788 2.934 5.234) 6.261 17.664 ( -1.993 1.434 -4.945) 5.521 17.664 ( -1.993 1.434 4.945) 5.521 18.026 ( 3.138 -3.811 -5.105) 7.101 18.026 ( 3.138 -3.811 5.105) 7.101 18.089 ( -3.215 -5.789 -6.472) 9.259 18.089 ( -3.215 -5.789 6.472) 9.259 19.821 ( 3.561 -8.187 -1.555) 9.062 19.821 ( 3.561 -8.187 1.555) 9.062 19.944 ( -3.766 -11.076 -1.006) 11.742 19.944 ( -3.766 -11.076 1.006) 11.742 24.309 ( 1.439 6.849 -0.273) 7.004 24.309 ( 1.439 6.849 0.273) 7.004 24.348 ( -1.140 6.049 -0.430) 6.170 24.348 ( -1.140 6.049 0.430) 6.170 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 0.000 0.000 -0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 -0.000) 0.000 3.863 ( 0.000 0.000 -0.000) 0.000 3.913 ( 0.000 0.000 -0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 -0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 -0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 -0.000 -0.000) 0.000 4.628 ( 0.000 -0.000 0.000) 0.000 4.671 ( 0.000 0.000 -0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 -0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 5.400 ( 0.000 0.000 -0.000) 0.000 5.400 ( 0.000 0.000 -0.000) 0.000 5.926 ( 0.000 0.000 -0.000) 0.000 5.926 ( 0.000 0.000 -0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 -0.000) 0.000 6.271 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 -0.000 -0.000) 0.000 6.310 ( 0.000 -0.000 0.000) 0.000 6.856 ( 0.000 0.000 -0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 -0.000 -0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 -0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 -0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 -0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 -0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 -0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 -0.000) 0.000 8.543 ( 0.000 0.000 -0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 -0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 -0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 10.622 ( 0.000 0.000 -0.000) 0.000 10.622 ( 0.000 0.000 0.000) 0.000 11.334 ( 0.000 0.000 -0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 12.064 ( 0.000 0.000 -0.000) 0.000 12.064 ( 0.000 0.000 0.000) 0.000 12.237 ( 0.000 -0.000 -0.000) 0.000 12.237 ( 0.000 0.000 -0.000) 0.000 12.658 ( 0.000 0.000 -0.000) 0.000 12.658 ( 0.000 0.000 0.000) 0.000 12.919 ( 0.000 0.000 0.000) 0.000 12.919 ( 0.000 0.000 0.000) 0.000 13.959 ( 0.000 0.000 -0.000) 0.000 13.959 ( 0.000 0.000 -0.000) 0.000 14.150 ( 0.000 0.000 0.000) 0.000 14.150 ( 0.000 0.000 0.000) 0.000 15.559 ( 0.000 0.000 -0.000) 0.000 15.559 ( 0.000 0.000 0.000) 0.000 15.613 ( 0.000 0.000 -0.000) 0.000 15.613 ( 0.000 0.000 0.000) 0.000 17.619 ( 0.000 0.000 -0.000) 0.000 17.619 ( 0.000 0.000 0.000) 0.000 17.691 ( 0.000 0.000 0.000) 0.000 17.691 ( 0.000 0.000 0.000) 0.000 17.989 ( 0.000 0.000 0.000) 0.000 17.989 ( 0.000 0.000 0.000) 0.000 18.060 ( 0.000 -0.000 -0.000) 0.000 18.060 ( 0.000 -0.000 0.000) 0.000 19.652 ( 0.000 0.000 0.000) 0.000 19.652 ( 0.000 0.000 0.000) 0.000 19.929 ( 0.000 0.000 0.000) 0.000 19.929 ( 0.000 0.000 -0.000) 0.000 24.337 ( 0.000 0.000 -0.000) 0.000 24.337 ( 0.000 0.000 0.000) 0.000 24.432 ( 0.000 0.000 0.000) 0.000 24.432 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 0.550 0.000 -0.000) 0.550 3.394 ( 0.550 0.000 0.000) 0.550 3.532 ( 4.386 0.000 -0.000) 4.386 3.532 ( 4.386 0.000 0.000) 4.386 3.591 ( -2.798 0.000 -0.000) 2.798 3.591 ( -2.798 0.000 0.000) 2.798 3.817 ( -3.851 0.000 -0.000) 3.851 3.817 ( -3.851 0.000 0.000) 3.851 3.925 ( 1.072 0.000 -0.000) 1.072 3.925 ( 1.072 0.000 0.000) 1.072 4.209 ( -6.339 0.000 -0.000) 6.339 4.209 ( -6.339 0.000 0.000) 6.339 4.482 ( 1.203 0.000 -0.000) 1.203 4.482 ( 1.203 0.000 0.000) 1.203 4.539 ( 1.437 0.000 -0.000) 1.437 4.539 ( 1.437 0.000 0.000) 1.437 4.595 ( -2.938 0.000 -0.000) 2.938 4.595 ( -2.938 0.000 0.000) 2.938 4.809 ( -0.912 0.000 -0.000) 0.912 4.809 ( -0.912 0.000 0.000) 0.912 4.864 ( 12.558 0.000 -0.000) 12.558 4.864 ( 12.558 0.000 0.000) 12.558 5.376 ( -2.786 0.000 -0.000) 2.786 5.376 ( -2.786 0.000 -0.000) 2.786 5.935 ( 1.128 0.000 -0.000) 1.128 5.935 ( 1.128 0.000 0.000) 1.128 6.136 ( 2.708 0.000 0.000) 2.708 6.136 ( 2.708 0.000 0.000) 2.708 6.259 ( -5.166 0.000 -0.000) 5.166 6.259 ( -5.166 0.000 0.000) 5.166 6.273 ( 0.083 -0.000 -0.000) 0.083 6.273 ( 0.083 -0.000 0.000) 0.083 6.771 ( -4.986 0.000 -0.000) 4.986 6.771 ( -4.986 0.000 0.000) 4.986 6.878 ( -3.513 0.000 -0.000) 3.513 6.878 ( -3.513 0.000 0.000) 3.513 7.252 ( 9.417 0.000 -0.000) 9.417 7.252 ( 9.417 0.000 0.000) 9.417 7.584 ( -0.245 0.000 -0.000) 0.245 7.584 ( -0.245 0.000 0.000) 0.245 7.710 ( -0.320 0.000 -0.000) 0.320 7.710 ( -0.320 0.000 0.000) 0.320 7.819 ( -3.594 0.000 -0.000) 3.594 7.819 ( -3.594 0.000 0.000) 3.594 8.295 ( 3.293 0.000 -0.000) 3.293 8.295 ( 3.293 0.000 0.000) 3.293 8.515 ( -2.751 0.000 -0.000) 2.751 8.515 ( -2.751 0.000 -0.000) 2.751 8.601 ( 3.020 0.000 -0.000) 3.020 8.601 ( 3.020 0.000 0.000) 3.020 8.893 ( -4.120 0.000 -0.000) 4.120 8.893 ( -4.120 0.000 0.000) 4.120 9.438 ( 6.738 0.000 -0.000) 6.738 9.438 ( 6.738 0.000 0.000) 6.738 9.537 ( 4.334 0.000 -0.000) 4.334 9.537 ( 4.334 0.000 0.000) 4.334 10.302 ( 9.053 0.000 0.000) 9.053 10.302 ( 9.053 0.000 0.000) 9.053 10.415 ( -2.555 0.000 -0.000) 2.555 10.415 ( -2.555 0.000 0.000) 2.555 10.580 ( -3.914 0.000 -0.000) 3.914 10.580 ( -3.914 0.000 0.000) 3.914 11.260 ( -9.040 0.000 -0.000) 9.040 11.260 ( -9.040 0.000 0.000) 9.040 11.990 ( -4.327 0.000 -0.000) 4.327 11.990 ( -4.327 0.000 0.000) 4.327 12.187 ( -4.832 0.000 -0.000) 4.832 12.187 ( -4.832 0.000 -0.000) 4.832 12.747 ( 7.116 0.000 -0.000) 7.116 12.747 ( 7.116 0.000 0.000) 7.116 12.928 ( 0.535 0.000 0.000) 0.535 12.928 ( 0.535 0.000 0.000) 0.535 13.981 ( 2.174 0.000 -0.000) 2.174 13.981 ( 2.174 0.000 0.000) 2.174 14.135 ( -1.516 0.000 0.000) 1.516 14.135 ( -1.516 0.000 0.000) 1.516 15.565 ( 0.649 0.000 -0.000) 0.649 15.565 ( 0.649 0.000 0.000) 0.649 15.610 ( -0.395 0.000 -0.000) 0.395 15.610 ( -0.395 0.000 0.000) 0.395 17.627 ( 0.865 0.000 -0.000) 0.865 17.627 ( 0.865 0.000 0.000) 0.865 17.686 ( -0.511 0.000 0.000) 0.511 17.686 ( -0.511 0.000 0.000) 0.511 17.992 ( 0.344 0.000 -0.000) 0.344 17.992 ( 0.344 0.000 0.000) 0.344 18.050 ( -0.997 -0.000 -0.000) 0.997 18.050 ( -0.997 0.000 0.000) 0.997 19.677 ( 2.554 0.000 0.000) 2.554 19.677 ( 2.554 0.000 0.000) 2.554 19.901 ( -2.859 0.000 0.000) 2.859 19.901 ( -2.859 0.000 -0.000) 2.859 24.348 ( 1.139 0.000 -0.000) 1.139 24.348 ( 1.139 0.000 0.000) 1.139 24.426 ( -0.723 0.000 0.000) 0.723 24.426 ( -0.723 0.000 0.000) 0.723 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( 3.292 0.000 -0.000) 3.292 3.429 ( 3.292 0.000 0.000) 3.292 3.512 ( -4.959 0.000 -0.000) 4.959 3.512 ( -4.959 0.000 0.000) 4.959 3.631 ( 5.672 0.000 -0.000) 5.672 3.631 ( 5.672 0.000 -0.000) 5.672 3.734 ( -4.924 0.000 -0.000) 4.924 3.734 ( -4.924 0.000 0.000) 4.924 3.967 ( 3.717 0.000 -0.000) 3.717 3.967 ( 3.717 0.000 0.000) 3.717 4.070 ( -7.022 0.000 -0.000) 7.022 4.070 ( -7.022 0.000 0.000) 7.022 4.500 ( 1.300 0.000 0.000) 1.300 4.500 ( 1.300 0.000 -0.000) 1.300 4.538 ( -2.689 0.000 -0.000) 2.689 4.538 ( -2.689 0.000 0.000) 2.689 4.644 ( 7.230 0.000 -0.000) 7.230 4.644 ( 7.230 0.000 0.000) 7.230 4.761 ( -4.435 0.000 -0.000) 4.435 4.761 ( -4.435 0.000 0.000) 4.435 5.097 ( 11.523 0.000 -0.000) 11.523 5.097 ( 11.523 0.000 0.000) 11.523 5.281 ( -7.451 -0.000 -0.000) 7.451 5.281 ( -7.451 -0.000 0.000) 7.451 5.981 ( 4.115 0.000 -0.000) 4.115 5.981 ( 4.116 0.000 0.000) 4.116 6.095 ( -7.179 -0.000 0.000) 7.179 6.095 ( -7.179 0.000 0.000) 7.179 6.225 ( 2.527 0.000 -0.000) 2.527 6.225 ( 2.527 0.000 0.000) 2.527 6.264 ( -1.230 0.000 -0.000) 1.230 6.264 ( -1.230 -0.000 0.000) 1.230 6.736 ( 1.261 0.000 -0.000) 1.261 6.736 ( 1.261 0.000 0.000) 1.261 6.797 ( -4.420 0.000 -0.000) 4.420 6.797 ( -4.420 0.000 0.000) 4.420 7.432 ( 8.772 0.000 -0.000) 8.772 7.432 ( 8.772 0.000 0.000) 8.772 7.555 ( -3.615 0.000 -0.000) 3.615 7.555 ( -3.615 0.000 0.000) 3.615 7.708 ( 0.425 0.000 -0.000) 0.425 7.708 ( 0.425 0.000 0.000) 0.425 7.742 ( -3.501 0.000 -0.000) 3.501 7.742 ( -3.501 0.000 0.000) 3.501 8.369 ( 4.201 0.000 -0.000) 4.201 8.369 ( 4.201 0.000 0.000) 4.201 8.448 ( -4.023 0.000 -0.000) 4.023 8.448 ( -4.023 0.000 -0.000) 4.023 8.684 ( 5.482 0.000 -0.000) 5.482 8.684 ( 5.482 0.000 0.000) 5.482 8.796 ( -5.872 0.000 -0.000) 5.872 8.796 ( -5.872 0.000 0.000) 5.872 9.565 ( 5.205 -0.000 -0.000) 5.205 9.565 ( 5.205 -0.000 0.000) 5.205 9.602 ( 1.395 0.000 -0.000) 1.395 9.602 ( 1.395 0.000 0.000) 1.395 10.386 ( 0.522 0.000 -0.000) 0.522 10.386 ( 0.522 0.000 0.000) 0.522 10.435 ( -2.453 0.000 -0.000) 2.453 10.435 ( -2.453 0.000 0.000) 2.453 10.618 ( 15.500 0.000 -0.000) 15.500 10.618 ( 15.500 0.000 0.000) 15.500 10.979 ( -19.179 0.000 -0.000) 19.179 10.979 ( -19.179 0.000 0.000) 19.179 11.981 ( 3.198 0.000 -0.000) 3.198 11.981 ( 3.198 0.000 0.000) 3.198 12.077 ( -6.086 0.000 -0.000) 6.086 12.077 ( -6.086 0.000 -0.000) 6.086 12.866 ( 4.810 0.000 0.000) 4.810 12.866 ( 4.810 0.000 -0.000) 4.810 12.923 ( -1.350 0.000 0.000) 1.350 12.923 ( -1.350 0.000 0.000) 1.350 14.034 ( 3.218 0.000 -0.000) 3.218 14.034 ( 3.218 0.000 0.000) 3.218 14.093 ( -2.800 0.000 0.000) 2.800 14.093 ( -2.800 0.000 0.000) 2.800 15.581 ( 0.955 0.000 -0.000) 0.955 15.581 ( 0.955 0.000 0.000) 0.955 15.598 ( -0.798 0.000 -0.000) 0.798 15.598 ( -0.798 0.000 0.000) 0.798 17.649 ( 1.264 0.000 -0.000) 1.264 17.649 ( 1.264 0.000 0.000) 1.264 17.671 ( -1.047 0.000 0.000) 1.047 17.671 ( -1.047 0.000 0.000) 1.047 18.004 ( 0.926 0.000 -0.000) 0.926 18.004 ( 0.926 0.000 0.000) 0.926 18.026 ( -1.328 -0.000 -0.000) 1.328 18.026 ( -1.328 0.000 0.000) 1.328 19.744 ( 4.262 0.000 0.000) 4.262 19.744 ( 4.262 0.000 0.000) 4.262 19.829 ( -4.451 0.000 -0.000) 4.451 19.829 ( -4.451 0.000 0.000) 4.451 24.376 ( 1.626 0.000 -0.000) 1.626 24.376 ( 1.626 0.000 0.000) 1.626 24.405 ( -1.370 0.000 0.000) 1.370 24.405 ( -1.370 0.000 0.000) 1.370 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/26880 10.0 4409.446 4356.555 2264.084 0.000 0.000 0.000 3/26880 20.0 870.589 1310.262 896.709 0.000 0.000 0.000 3/26880 30.0 291.353 527.910 310.458 0.000 0.000 0.000 3/26880 40.0 128.159 257.542 138.492 0.000 0.000 0.000 3/26880 50.0 69.276 147.500 75.392 0.000 0.000 0.000 3/26880 60.0 43.290 95.583 47.272 0.000 0.000 0.000 3/26880 70.0 29.932 67.753 32.730 0.000 0.000 0.000 3/26880 80.0 22.241 51.251 24.324 0.000 0.000 0.000 3/26880 90.0 17.418 40.671 19.042 0.000 0.000 0.000 3/26880 100.0 14.187 33.464 15.501 0.000 0.000 0.000 3/26880 110.0 11.909 28.311 13.003 0.000 0.000 0.000 3/26880 120.0 10.234 24.481 11.168 0.000 0.000 0.000 3/26880 130.0 8.960 21.544 9.774 0.000 0.000 0.000 3/26880 140.0 7.963 19.231 8.685 0.000 0.000 0.000 3/26880 150.0 7.165 17.369 7.813 0.000 0.000 0.000 3/26880 160.0 6.513 15.842 7.102 0.000 0.000 0.000 3/26880 170.0 5.971 14.570 6.512 0.000 0.000 0.000 3/26880 180.0 5.514 13.495 6.015 0.000 0.000 0.000 3/26880 190.0 5.124 12.575 5.591 0.000 0.000 0.000 3/26880 200.0 4.787 11.780 5.224 0.000 0.000 0.000 3/26880 210.0 4.492 11.086 4.905 0.000 0.000 0.000 3/26880 220.0 4.234 10.474 4.624 0.000 0.000 0.000 3/26880 230.0 4.004 9.932 4.375 0.000 0.000 0.000 3/26880 240.0 3.799 9.447 4.152 0.000 0.000 0.000 3/26880 250.0 3.615 9.011 3.952 0.000 0.000 0.000 3/26880 260.0 3.448 8.616 3.772 0.000 0.000 0.000 3/26880 270.0 3.297 8.257 3.608 0.000 0.000 0.000 3/26880 280.0 3.159 7.929 3.458 0.000 0.000 0.000 3/26880 290.0 3.033 7.629 3.320 0.000 0.000 0.000 3/26880 300.0 2.917 7.351 3.194 0.000 0.000 0.000 3/26880 310.0 2.809 7.095 3.077 0.000 0.000 0.000 3/26880 320.0 2.710 6.857 2.969 0.000 0.000 0.000 3/26880 330.0 2.617 6.636 2.869 0.000 0.000 0.000 3/26880 340.0 2.531 6.429 2.775 0.000 0.000 0.000 3/26880 350.0 2.451 6.236 2.687 0.000 0.000 0.000 3/26880 360.0 2.376 6.054 2.606 0.000 0.000 0.000 3/26880 370.0 2.305 5.884 2.529 0.000 0.000 0.000 3/26880 380.0 2.239 5.723 2.456 0.000 0.000 0.000 3/26880 390.0 2.176 5.571 2.388 0.000 0.000 0.000 3/26880 400.0 2.117 5.427 2.324 0.000 0.000 0.000 3/26880 410.0 2.061 5.291 2.263 0.000 0.000 0.000 3/26880 420.0 2.009 5.162 2.205 0.000 0.000 0.000 3/26880 430.0 1.958 5.039 2.150 0.000 0.000 0.000 3/26880 440.0 1.911 4.922 2.098 0.000 0.000 0.000 3/26880 450.0 1.865 4.811 2.049 0.000 0.000 0.000 3/26880 460.0 1.822 4.705 2.002 0.000 0.000 0.000 3/26880 470.0 1.781 4.603 1.957 0.000 0.000 0.000 3/26880 480.0 1.742 4.506 1.914 0.000 0.000 0.000 3/26880 490.0 1.704 4.413 1.872 0.000 0.000 0.000 3/26880 500.0 1.668 4.324 1.833 0.000 0.000 0.000 3/26880 510.0 1.634 4.238 1.796 0.000 0.000 0.000 3/26880 520.0 1.601 4.156 1.759 0.000 0.000 0.000 3/26880 530.0 1.569 4.077 1.725 0.000 0.000 0.000 3/26880 540.0 1.539 4.001 1.691 0.000 0.000 0.000 3/26880 550.0 1.510 3.928 1.659 0.000 0.000 0.000 3/26880 560.0 1.482 3.857 1.629 0.000 0.000 0.000 3/26880 570.0 1.455 3.789 1.599 0.000 0.000 0.000 3/26880 580.0 1.428 3.724 1.570 0.000 0.000 0.000 3/26880 590.0 1.403 3.661 1.543 0.000 0.000 0.000 3/26880 600.0 1.379 3.599 1.516 0.000 0.000 0.000 3/26880 610.0 1.356 3.540 1.491 0.000 0.000 0.000 3/26880 620.0 1.333 3.483 1.466 0.000 0.000 0.000 3/26880 630.0 1.311 3.428 1.442 0.000 0.000 0.000 3/26880 640.0 1.290 3.374 1.419 0.000 0.000 0.000 3/26880 650.0 1.269 3.322 1.396 0.000 0.000 0.000 3/26880 660.0 1.250 3.272 1.374 0.000 0.000 0.000 3/26880 670.0 1.230 3.223 1.353 0.000 0.000 0.000 3/26880 680.0 1.212 3.175 1.333 0.000 0.000 0.000 3/26880 690.0 1.194 3.129 1.313 0.000 0.000 0.000 3/26880 700.0 1.176 3.085 1.294 0.000 0.000 0.000 3/26880 710.0 1.159 3.041 1.275 0.000 0.000 0.000 3/26880 720.0 1.143 2.999 1.257 0.000 0.000 0.000 3/26880 730.0 1.127 2.958 1.239 0.000 0.000 0.000 3/26880 740.0 1.111 2.918 1.222 0.000 0.000 0.000 3/26880 750.0 1.096 2.879 1.206 0.000 0.000 0.000 3/26880 760.0 1.081 2.842 1.190 0.000 0.000 0.000 3/26880 770.0 1.067 2.805 1.174 0.000 0.000 0.000 3/26880 780.0 1.053 2.769 1.158 0.000 0.000 0.000 3/26880 790.0 1.039 2.734 1.143 0.000 0.000 0.000 3/26880 800.0 1.026 2.700 1.129 0.000 0.000 0.000 3/26880 810.0 1.013 2.666 1.115 0.000 0.000 0.000 3/26880 820.0 1.000 2.634 1.101 0.000 0.000 0.000 3/26880 830.0 0.988 2.602 1.087 0.000 0.000 0.000 3/26880 840.0 0.976 2.571 1.074 0.000 0.000 0.000 3/26880 850.0 0.964 2.541 1.061 0.000 0.000 0.000 3/26880 860.0 0.953 2.512 1.049 0.000 0.000 0.000 3/26880 870.0 0.942 2.483 1.037 0.000 0.000 0.000 3/26880 880.0 0.931 2.455 1.025 0.000 0.000 0.000 3/26880 890.0 0.920 2.427 1.013 0.000 0.000 0.000 3/26880 900.0 0.910 2.400 1.002 0.000 0.000 0.000 3/26880 910.0 0.900 2.374 0.990 0.000 0.000 0.000 3/26880 920.0 0.890 2.348 0.979 0.000 0.000 0.000 3/26880 930.0 0.880 2.323 0.969 0.000 0.000 0.000 3/26880 940.0 0.871 2.298 0.958 0.000 0.000 0.000 3/26880 950.0 0.861 2.274 0.948 0.000 0.000 0.000 3/26880 960.0 0.852 2.251 0.938 0.000 0.000 0.000 3/26880 970.0 0.843 2.227 0.928 0.000 0.000 0.000 3/26880 980.0 0.835 2.205 0.919 0.000 0.000 0.000 3/26880 990.0 0.826 2.183 0.909 0.000 0.000 0.000 3/26880 1000.0 0.818 2.161 0.900 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:59:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|